3-METHYLBENZYLSUCCINIC ACID

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H14O4
Molecular Weight	222.2372
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYLBENZYLSUCCINIC ACID

Structure Search

SMILES

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

InChI

InChIKey=OHQFGTDAUDLCBG-UHFFFAOYSA-N

InChI=1S/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H14O4
Molecular Weight	222.2372
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:42 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:42 GMT 2023`
Record UNII	H2O5G9W333
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-METHYLBENZYLSUCCINIC ACID

Systematic Name

English

NSC-20718

Code

English

M-METHYLBENZYLSUCCINIC ACID

Systematic Name

English

BUTANEDIOIC ACID, 2-((3-METHYLPHENYL)METHYL)-

Systematic Name

English

BUTANEDIOIC ACID, ((3-METHYLPHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

H2O5G9W333

Created by admin on Sat Dec 16 18:54:42 GMT 2023 , Edited by admin on Sat Dec 16 18:54:42 GMT 2023

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CAS

6315-20-4

Created by admin on Sat Dec 16 18:54:42 GMT 2023 , Edited by admin on Sat Dec 16 18:54:42 GMT 2023

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PUBCHEM

228104

Created by admin on Sat Dec 16 18:54:42 GMT 2023 , Edited by admin on Sat Dec 16 18:54:42 GMT 2023

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NSC

20718

Created by admin on Sat Dec 16 18:54:42 GMT 2023 , Edited by admin on Sat Dec 16 18:54:42 GMT 2023

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EPA CompTox

DTXSID101310489

Created by admin on Sat Dec 16 18:54:42 GMT 2023 , Edited by admin on Sat Dec 16 18:54:42 GMT 2023

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