2-{[(Prop-2-en-1-yl)oxy]carbonyl}benzoate (Q82527375)

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chemical compound

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Language	Label	Description	Also known as
English	2-{[(Prop-2-en-1-yl)oxy]carbonyl}benzoate	chemical compound

Statements

instance of

type of chemical entity

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subclass of

phthalate ester

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chemical structure

Mono allyl phthalate.svg
351 × 231; 10 KB

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mass

205.05063234791 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₁H₉O₄⁻

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based on heuristic

inferred from SMILES

canonical SMILES

C=CCOC(=O)C1=CC=CC=C1C(=O)[O-]

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Identifiers

InChI

InChI=1S/C11H10O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h2-6H,1,7H2,(H,12,13)/p-1

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InChIKey

UIYHUUARNKRKGV-UHFFFAOYSA-M

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CAS Registry Number

3882-14-2

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PubChem CID

22174225

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matched by identifier from

InChIKey

InChIKey

UIYHUUARNKRKGV-UHFFFAOYSA-M

UniChem compound ID

44546516

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stated in

UniChem

DSSTox substance ID

DTXSID40623232

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matched by identifier from

InChIKey

InChIKey

UIYHUUARNKRKGV-UHFFFAOYSA-M

DSSTOX compound identifier

DTXCID00573986

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