Monoamyl fumarate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H14O4
Molecular Weight	186.2051
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCOC(=O)\C=C\C(O)=O

InChI

InChIKey=BOFGUJVLYGISIU-AATRIKPKSA-N

InChI=1S/C9H14O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h5-6H,2-4,7H2,1H3,(H,10,11)/b6-5+

HIDE SMILES / InChI

Molecular Formula	C9H14O4
Molecular Weight	186.2051
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 `Wed Apr 02 21:10:39 GMT 2025` Edited by `admin` on `Wed Apr 02 21:10:39 GMT 2025`
Record UNII	3F4Z2D7CBU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Monoamyl fumarate

Systematic Name

English

(2E)-4-Oxo-4-(pentyloxy)-2-butenoic acid

Preferred Name

English

1-Pentyl 2-butenedioate

Systematic Name

English

2-Butenedioic acid, 1-pentyl ester

Systematic Name

English

2-Butenedioic acid (2E)-, 1-pentyl ester

Systematic Name

English

Monopentyl fumarate

Systematic Name

English

Code System Code Type Description

CAS

45096-54-6

Created by admin on Wed Apr 02 21:10:39 GMT 2025 , Edited by admin on Wed Apr 02 21:10:39 GMT 2025

PRIMARY

CAS

1048697-38-6

Created by admin on Wed Apr 02 21:10:39 GMT 2025 , Edited by admin on Wed Apr 02 21:10:39 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

3F4Z2D7CBU

Created by admin on Wed Apr 02 21:10:39 GMT 2025 , Edited by admin on Wed Apr 02 21:10:39 GMT 2025

PRIMARY

PUBCHEM

10103897

Created by admin on Wed Apr 02 21:10:39 GMT 2025 , Edited by admin on Wed Apr 02 21:10:39 GMT 2025

PRIMARY