U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C3H5ClO3
Molecular Weight 124.523
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLOROLACTIC ACID, (±)-

SMILES

OC(CCl)C(O)=O

InChI

InChIKey=OSLCJYYQMKPZHU-UHFFFAOYSA-N
InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C3H5ClO3
Molecular Weight 124.523
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:31:05 UTC 2023
Edited
by admin
on Sat Dec 16 18:31:05 UTC 2023
Record UNII
M4Y6UA6H9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLOROLACTIC ACID, (±)-
Common Name English
.BETA.-CHLOROLACTIC ACID
Systematic Name English
3-CHLORO-2-HYDROXYPROPANOIC ACID
Systematic Name English
(±)-3-CHLOROLACTIC ACID
Systematic Name English
DL-.BETA.-CHLOROLACTIC ACID
Common Name English
PROPANOIC ACID, 3-CHLORO-2-HYDROXY-
Systematic Name English
DL-3-CHLOROLACTIC ACID
Common Name English
2-HYDROXY-3-CHLOROPROPIONIC ACID
Systematic Name English
Code System Code Type Description
CAS
1713-85-5
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
FDA UNII
M4Y6UA6H9U
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
PUBCHEM
92899
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-993-0
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
CHEBI
77855
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID10883745
Created by admin on Sat Dec 16 18:31:05 UTC 2023 , Edited by admin on Sat Dec 16 18:31:05 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE
MAJOR