Pentamethylbenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16O2
Molecular Weight	192.2542
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pentamethylbenzoic acid

Structure Search

SMILES

CC1=C(C)C(C)=C(C(O)=O)C(C)=C1C

InChI

InChIKey=MNLKGWIYXCKWBU-UHFFFAOYSA-N

InChI=1S/C12H16O2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C12H16O2
Molecular Weight	192.2542
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 `Tue Apr 01 19:10:06 GMT 2025` Edited by `admin` on `Tue Apr 01 19:10:06 GMT 2025`
Record UNII	47NV8B3PAE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pentamethylbenzoic acid

Systematic Name

English

NSC-245093

Preferred Name

English

Benzoic acid, 2,3,4,5,6-pentamethyl-

Systematic Name

English

2,3,4,5,6-Pentamethylbenzoic acid

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20176953

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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NSC

245093

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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PUBCHEM

75236

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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FDA UNII

47NV8B3PAE

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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CAS

2243-32-5

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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ECHA (EC/EINECS)

218-809-4

Created by admin on Tue Apr 01 19:10:06 GMT 2025 , Edited by admin on Tue Apr 01 19:10:06 GMT 2025

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