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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 3-HEXENOATE, (3Z)-

SMILES

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

InChI

InChIKey=XEAIHUDTEINXFG-PLNGDYQASA-N
InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4-

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 Fri Dec 15 20:38:52 UTC 2023
Edited
by admin
on Fri Dec 15 20:38:52 UTC 2023
Record UNII
3737693N1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-HEXENOATE, (3Z)-
Systematic Name English
FEMA NO. 3364, Z-
Code English
(Z)-3-HEXENOIC ACID METHYL ESTER
Systematic Name English
METHYL (Z)-3-HEXENOATE
Systematic Name English
METHYL 3-HEXENOATE, CIS-
Systematic Name English
METHYL CIS-3-HEXENOATE [FHFI]
Common Name English
3-HEXENOIC ACID, METHYL ESTER, (Z)-
Common Name English
METHYL CIS-3-HEXENOATE
FHFI  
Systematic Name English
FEMA NO. 4164
Code English
3-HEXENOIC ACID, METHYL ESTER, (3Z)-
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL (Z)-3-HEXENOATE
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
Code System Code Type Description
PUBCHEM
5362819
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
PRIMARY
FDA UNII
3737693N1Q
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID80893694
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
PRIMARY
JECFA MONOGRAPH
1613
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
PRIMARY
CAS
13894-62-7
Created by admin on Fri Dec 15 20:38:52 UTC 2023 , Edited by admin on Fri Dec 15 20:38:52 UTC 2023
PRIMARY