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Details

Stereochemistry ACHIRAL
Molecular Formula C5H6O3
Molecular Weight 114.0993
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2E)-3-Methyl-4-oxo-2-butenoic acid

SMILES

C\C(C=O)=C/C(O)=O

InChI

InChIKey=VXAWORVMCLXEKH-DUXPYHPUSA-N
InChI=1S/C5H6O3/c1-4(3-6)2-5(7)8/h2-3H,1H3,(H,7,8)/b4-2+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2-Butenoic acid, 3-methyl-4-oxo-, (2E)-
Preferred Name English
(2E)-3-Methyl-4-oxo-2-butenoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
MTD666T4Z6
Created by admin on Wed Apr 02 19:21:29 GMT 2025 , Edited by admin on Wed Apr 02 19:21:29 GMT 2025
PRIMARY
CAS
54168-84-2
Created by admin on Wed Apr 02 19:21:29 GMT 2025 , Edited by admin on Wed Apr 02 19:21:29 GMT 2025
PRIMARY
PUBCHEM
11094570
Created by admin on Wed Apr 02 19:21:29 GMT 2025 , Edited by admin on Wed Apr 02 19:21:29 GMT 2025
PRIMARY
NIH
NCATS
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