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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

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 Sat Dec 16 12:23:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:49 GMT 2023
Record UNII
47NV8B3PAE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pentamethylbenzoic acid
Systematic Name English
NSC-245093
Code 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 Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
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NSC
245093
Created by admin on Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
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PUBCHEM
75236
Created by admin on Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
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FDA UNII
47NV8B3PAE
Created by admin on Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
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CAS
2243-32-5
Created by admin on Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-809-4
Created by admin on Sat Dec 16 12:23:49 GMT 2023 , Edited by admin on Sat Dec 16 12:23:49 GMT 2023
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