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Details

Stereochemistry ACHIRAL
Molecular Formula C5H5ClO3
Molecular Weight 148.544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-CHLORO-3-FORMYL-2-BUTENOIC ACID

SMILES

OC(=O)\C=C(\CCl)C=O

InChI

InChIKey=DWQMBYOGEWLZFH-RJRFIUFISA-N
InChI=1S/C5H5ClO3/c6-2-4(3-7)1-5(8)9/h1,3H,2H2,(H,8,9)/b4-1-

HIDE SMILES / InChI

Molecular Formula C5H5ClO3
Molecular Weight 148.544
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 Sat Dec 16 09:35:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:35:15 GMT 2023
Record UNII
0SA8W1M788
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-CHLORO-3-FORMYL-2-BUTENOIC ACID
Systematic Name English
4-(CHLOROMETHYL)-5-HYDROXY-2(5H)-FURANONE
Systematic Name English
3-(CHLOROMETHYL)FURAN-2,5-DIOL
Systematic Name English
2,5-FURANDIOL, 3-(CHLOROMETHYL)-
Systematic Name English
2(5H)-FURANONE, 4-CHLOROMETHYL-5-HYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
55303107
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
PRIMARY
CAS
125995-42-8
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
ALTERNATIVE
CAS
758707-62-9
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
ALTERNATIVE
EPA CompTox
DTXSID50925335
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
PRIMARY
FDA UNII
0SA8W1M788
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
PRIMARY
CAS
125974-06-3
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
PRIMARY
CAS
662723-27-5
Created by admin on Sat Dec 16 09:35:15 GMT 2023 , Edited by admin on Sat Dec 16 09:35:15 GMT 2023
ALTERNATIVE