METHYL 2-HEXENOATE, (2E)-

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)-

Structure Search

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

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	X2DDU82182
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL 2-HEXENOATE, (2E)-

Systematic Name

English

FEMA NO. 2709, E-

Preferred Name

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 Mon Mar 31 20:47:45 GMT 2025 , Edited by admin on Mon Mar 31 20:47:45 GMT 2025

PRIMARY

CAS

13894-63-8

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

X2DDU82182

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

5364409

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

EVMPD

SUB192513

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

SMS_ID

100000177219

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

ECHA (EC/EINECS)

237-663-2

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