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

Details

Stereochemistry RACEMIC
Molecular Formula C4H8O3
Molecular Weight 104.1045
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXYISOBUTYRIC ACID

SMILES

CC(CO)C(O)=O

InChI

InChIKey=DBXBTMSZEOQQDU-UHFFFAOYSA-N
InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula C4H8O3
Molecular Weight 104.1045
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 08:48:35 UTC 2023
Edited
by admin
on Sat Dec 16 08:48:35 UTC 2023
Record UNII
K75C8JDF5W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXYISOBUTYRIC ACID
Systematic Name English
3-HYDROXY-2-METHYLPROPANOIC ACID
Systematic Name English
DL-3-HYDROXYISOBUTYRIC ACID
Common Name English
.BETA.-HYDROXYISOBUTYRIC ACID
Common Name English
(±)-3-HYDROXY-2-METHYLPROPANOIC ACID
Systematic Name English
PROPANOIC ACID, 3-HYDROXY-2-METHYL-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
3-Hydroxyisobutyric acid
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
CAS
2068-83-9
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID20862824
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
CHEBI
18064
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
FDA UNII
K75C8JDF5W
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
PUBCHEM
87
Created by admin on Sat Dec 16 08:48:35 UTC 2023 , Edited by admin on Sat Dec 16 08:48:35 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE