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 METHYL 2-HEXENOATE, (2Z)-

SMILES

CCC\C=C/C(=O)OC

InChI

InChIKey=GFUGBRNILVVWIE-WAYWQWQTSA-N
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5-

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:47:45 GMT 2025
Edited
by admin
on Mon Mar 31 20:47:45 GMT 2025
Record UNII
25L7Z256Q1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 2709, Z-
Preferred Name English
METHYL 2-HEXENOATE, (2Z)-
Systematic Name English
METHYL CIS-2-HEXENOATE
Systematic Name English
2-HEXENOIC ACID, METHYL ESTER, (2Z)-
Common Name English
(2Z)-2-HEXENOIC ACID METHYL ESTER
Systematic Name English
METHYL 2-HEXENOATE, CIS-
Systematic Name English
2-HEXENOIC ACID, METHYL ESTER, (Z)-
Common Name English
Code System Code Type Description
CAS
13894-64-9
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
PUBCHEM
12445851
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID001314395
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY
FDA UNII
25L7Z256Q1
Created by admin on Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025
PRIMARY