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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5ClO2
Molecular Weight 120.534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Chloro-2-butenoic acid, (2E)-

SMILES

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

InChI

InChIKey=XBOTUWGQYMHUFO-NSCUHMNNSA-N
InChI=1S/C4H5ClO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+

HIDE SMILES / InChI

Molecular Formula C4H5ClO2
Molecular Weight 120.534
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 12:04:44 GMT 2025
Edited
by admin
on Wed Apr 02 12:04:44 GMT 2025
Record UNII
9U9S7SRV2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-89558
Preferred Name English
3-Chloro-2-butenoic acid, (2E)-
Systematic Name English
TRANS-3-CHLOROCROTONIC ACID
Common Name English
(2E)-3-Chloro-2-butenoic acid
Systematic Name English
2-Butenoic acid, 3-chloro-, (2E)-
Systematic Name English
CROTONIC ACID, 3-CHLORO-, (E)-
Common Name English
2-BUTENOIC ACID, 3-CHLORO-, (E)-
Systematic Name English
(E)-3-CHLORO-2-BUTENOIC ACID
Systematic Name English
Code System Code Type Description
CAS
6214-28-4
Created by admin on Wed Apr 02 12:04:44 GMT 2025 , Edited by admin on Wed Apr 02 12:04:44 GMT 2025
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FDA UNII
9U9S7SRV2R
Created by admin on Wed Apr 02 12:04:44 GMT 2025 , Edited by admin on Wed Apr 02 12:04:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID40871155
Created by admin on Wed Apr 02 12:04:44 GMT 2025 , Edited by admin on Wed Apr 02 12:04:44 GMT 2025
PRIMARY
NSC
89558
Created by admin on Wed Apr 02 12:04:44 GMT 2025 , Edited by admin on Wed Apr 02 12:04:44 GMT 2025
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PUBCHEM
643136
Created by admin on Wed Apr 02 12:04:44 GMT 2025 , Edited by admin on Wed Apr 02 12:04:44 GMT 2025
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