3,4-DIACETOXYPHENYLACETIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12O6
Molecular Weight	252.2201
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIACETOXYPHENYLACETIC ACID

Structure Search

SMILES

CC(=O)OC1=CC=C(CC(O)=O)C=C1OC(C)=O

InChI

InChIKey=VYELVKLTNGETIC-UHFFFAOYSA-N

InChI=1S/C12H12O6/c1-7(13)17-10-4-3-9(6-12(15)16)5-11(10)18-8(2)14/h3-5H,6H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H12O6
Molecular Weight	252.2201
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:18:24 GMT 2023` Edited by `admin` on `Sat Dec 16 17:18:24 GMT 2023`
Record UNII	BRO5CE1S6K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DIACETOXYPHENYLACETIC ACID

Systematic Name

English

BENZENEACETIC ACID, 3,4-BIS(ACETYLOXY)-

Systematic Name

English

Code System Code Type Description

CAS

85621-43-8

Created by admin on Sat Dec 16 17:18:24 GMT 2023 , Edited by admin on Sat Dec 16 17:18:24 GMT 2023

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EPA CompTox

DTXSID80234861

Created by admin on Sat Dec 16 17:18:24 GMT 2023 , Edited by admin on Sat Dec 16 17:18:24 GMT 2023

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FDA UNII

BRO5CE1S6K

Created by admin on Sat Dec 16 17:18:24 GMT 2023 , Edited by admin on Sat Dec 16 17:18:24 GMT 2023

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ECHA (EC/EINECS)

287-942-8

Created by admin on Sat Dec 16 17:18:24 GMT 2023 , Edited by admin on Sat Dec 16 17:18:24 GMT 2023

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PUBCHEM

3020850

Created by admin on Sat Dec 16 17:18:24 GMT 2023 , Edited by admin on Sat Dec 16 17:18:24 GMT 2023

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