U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2-HEXENOIC ACID, (2E)-

SMILES

CCC\C(C)=C\C(O)=O

InChI

InChIKey=NTWSIWWJPQHFTO-AATRIKPKSA-N
InChI=1S/C7H12O2/c1-3-4-6(2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)/b6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
3-METHYL-2-HEXENOIC ACID, (2E)-
Common Name English
TRANS-3-METHYL-2-HEXENOIC ACID
Common Name English
TMHA
Common Name English
(E)-3-METHYLHEX-2-ENOIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
6443739
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY
FDA UNII
Q98FU4WJ65
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY
CAS
27960-21-0
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY
CHEBI
144845
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID701020850
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY
WIKIPEDIA
TRANS-3-METHYL-2-HEXENOIC ACID
Created by admin on Sat Dec 16 03:07:42 GMT 2023 , Edited by admin on Sat Dec 16 03:07:42 GMT 2023
PRIMARY