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, (2E)-

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL 2-HEXENOATE, (2E)-
Systematic Name English
FEMA NO. 2709, E-
Code English
METHYL 2-HEXENOATE, (E)-
Systematic Name English
2-HEXENOIC ACID, METHYL ESTER, (E)-
Common Name English
METHYL TRANS-2-HEXENOATE
Systematic Name English
(2E)-2-HEXENOIC ACID METHYL ESTER
Systematic Name English
2-HEXENOIC ACID, METHYL ESTER, (2E)-
Common Name English
METHYL 2-HEXENOATE, TRANS-
Systematic Name English
METHYL (E)-2-HEXENOATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80884724
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
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CAS
13894-63-8
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY
FDA UNII
X2DDU82182
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY
PUBCHEM
5364409
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY
EVMPD
SUB192513
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY
SMS_ID
100000177219
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-663-2
Created by admin on Sat Dec 16 01:15:15 GMT 2023 , Edited by admin on Sat Dec 16 01:15:15 GMT 2023
PRIMARY