4-Isopropoxy-4-oxobut-2-enoic acid, (E)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H10O4
Molecular Weight	158.1519
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-Isopropoxy-4-oxobut-2-enoic acid, (E)-

Structure Search

SMILES

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

InChI

InChIKey=FWUIHQFQLSWYED-ONEGZZNKSA-N

InChI=1S/C7H10O4/c1-5(2)11-7(10)4-3-6(8)9/h3-5H,1-2H3,(H,8,9)/b4-3+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2E)-4-Isopropoxy-4-oxo-2-butenoic acid

Preferred Name

English

4-Isopropoxy-4-oxobut-2-enoic acid, (E)-

Common Name

English

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

Systematic Name

English

(E)-4-Isopropoxy-4-oxobut-2-enoic acid

Systematic Name

English

2-Butenedioic acid (2E)-, mono(1-methylethyl) ester

Systematic Name

English

2-Butenedioic acid (E)-, mono(1-methylethyl) ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

6057891

Created by admin on Wed Apr 02 20:47:58 GMT 2025 , Edited by admin on Wed Apr 02 20:47:58 GMT 2025

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SMS_ID

300000053897

Created by admin on Wed Apr 02 20:47:58 GMT 2025 , Edited by admin on Wed Apr 02 20:47:58 GMT 2025

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EPA CompTox

DTXSID20699576

Created by admin on Wed Apr 02 20:47:58 GMT 2025 , Edited by admin on Wed Apr 02 20:47:58 GMT 2025

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FDA UNII

MF7U4U5XNP

Created by admin on Wed Apr 02 20:47:58 GMT 2025 , Edited by admin on Wed Apr 02 20:47:58 GMT 2025

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CAS

7529-87-5

Created by admin on Wed Apr 02 20:47:58 GMT 2025 , Edited by admin on Wed Apr 02 20:47:58 GMT 2025

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SUBSTANCE RECORD


					MF7U4U5XNP

4-Isopropoxy-4-oxobut-2-enoic acid, (E)-