1,4-cyclohexanedicarboxylic acid (Q72459634)

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chemical compound

• CHDA

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Language	Label	Description	Also known as
English	1,4-cyclohexanedicarboxylic acid	chemical compound	CHDA

Statements

instance of

group of stereoisomers

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subclass of

dicarboxylic acid

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chemical structure

1,4-cyclohexanedicarboxylicAcid.svg
187 × 122; 6 KB

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mass

172.073558864 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈H₁₂O₄

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canonical SMILES

C1CC(CCC1C(=O)O)C(=O)O

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Identifiers

InChI

InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

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InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

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CAS Registry Number

1076-97-7

1 reference

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=1076-97-7

PubChem CID

14106

1 reference

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

ChEBI ID

145052

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

SureChEMBL ID

SCHEMBL36093

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

UniChem compound ID

23329395

1 reference

stated in

UniChem

NMRShiftDB structure ID

20201390

1 reference

matched by identifier from

InChIKey

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

ZVG number

108525

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DSSTox substance ID

DTXSID2038788

1 reference

matched by identifier from

InChIKey

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0018788

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EC number

214-068-6

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ECHA Substance Infocard ID

100.012.790

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.790

retrieved

29 December 2019

title

Cyclohexane-1,4-dicarboxylic acid (English)

quotation

CAS no.: 1076-97-7 (English)

CosIng number

97446

1 reference

stated in

CosIng database

CosIng number

97446

retrieved

28 December 2019

title

1,4-CYCLOHEXANEDICARBOXYLIC ACID (English)

quotation

CAS no.: 1076-97-7 (English)

AICS Chemical ID (BEING DELETED)

1520

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UNII

13LBH83IU4

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Sitelinks

Wikipedia(2 entries)

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• enwiki 1,4-Cyclohexanedicarboxylic acid
• zhwiki 1,4-环己烷二甲酸

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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