3-methylhippuric acid (Q22132798)

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chemical compound

2-[(3-methylbenzoyl)amino]acetic acid
meta-methylhippuric acid
m-methylhippuric acid
3-methyl hippuric acid
m-toluric acid
N-(3-methylbenzoyl)glycine
[(3-methylbenzoyl)amino]acetic acid
N-[(3-methylphenyl)carbonyl]glycine
2-[(3-methylphenyl)carbonylamino]acetic acid
2-[(3-methylphenyl)formamido]acetic acid
3-methylbenzoylglycine
N-(m-toluoyl)glycine

Language	Label	Description	Also known as
English	3-methylhippuric acid	chemical compound	2-[(3-methylbenzoyl)amino]acetic acid meta-methylhippuric acid m-methylhippuric acid 3-methyl hippuric acid m-toluric acid N-(3-methylbenzoyl)glycine [(3-methylbenzoyl)amino]acetic acid N-[(3-methylphenyl)carbonyl]glycine 2-[(3-methylphenyl)carbonylamino]acetic acid 2-[(3-methylphenyl)formamido]acetic acid 3-methylbenzoylglycine N-(m-toluoyl)glycine

Statements

type of chemical entity

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methylhippuric acid

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chemical structure

3-Methylhippuric acid.svg
300 × 470; 11 KB

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193.073893±0 dalton

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language of work or name

3-Methylhippuric acid (English)

7 October 2016

chemical formula

C₁₀H₁₁NO₃

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language of work or name

3-Methylhippuric acid (English)

7 October 2016

canonical SMILES

CC1=CC=CC(=C1)C(=O)NCC(=O)O

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language of work or name

3-Methylhippuric acid (English)

7 October 2016

isomeric SMILES

CC1=CC=CC(=C1)/C(=N/CC(=O)O)/O

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language of work or name

3-Methylhippuric Acid (English)

7 October 2016

139.0 degree Celsius

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Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

1 reference

language of work or name

3-Methylhippuric acid (English)

7 October 2016

YKAKNMHEIJUKEX-UHFFFAOYSA-N

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language of work or name

3-Methylhippuric acid (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

m-methylhippuric acid (English)

7 October 2016

YKAKNMHEIJUKEX-UHFFFAOYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=27115-49-7

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language of work or name

3-Methylhippuric Acid (English)

7 October 2016

2 references

language of work or name

3-Methylhippuric acid (English)

7 October 2016

matched by identifier from

YKAKNMHEIJUKEX-UHFFFAOYSA-N

Reaxys registry number

2103978

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language of work or name

m-methylhippuric acid (English)

7 October 2016

mapping relation type

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language of work or name

m-methylhippuric acid (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)

1 reference

language of work or name

CHEMBL456202 (English)

7 October 2016

UniChem compound ID

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MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002237

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MSBNK-BGC_Munich-RP012901

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MSBNK-BGC_Munich-RP012902

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MSBNK-BGC_Munich-RP012903

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MSBNK-BGC_Munich-RP012912

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splash10-014i-6900000000-4a327638e0211a45d7b3

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NMRShiftDB structure ID

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matched by identifier from

YKAKNMHEIJUKEX-UHFFFAOYSA-N

DSSTox substance ID

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Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

YKAKNMHEIJUKEX-UHFFFAOYSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

matched by identifier from

YKAKNMHEIJUKEX-UHFFFAOYSA-N

1 reference

matched by identifier from

YKAKNMHEIJUKEX-UHFFFAOYSA-N

Sitelinks

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Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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