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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H9BrO2
Molecular Weight 181.028
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BROMOISOVALERIC ACID

SMILES

CC(C)(Br)CC(O)=O

InChI

InChIKey=IEVAKUCVZWTRHQ-UHFFFAOYSA-N
InChI=1S/C5H9BrO2/c1-5(2,6)3-4(7)8/h3H2,1-2H3,(H,7,8)

HIDE SMILES / InChI

Approval Year

Name Type Language
.BETA.-BROMOISOVALERIC ACID
MI  
Systematic Name English
.BETA.-BROMOISOVALERIC ACID [MI]
Common Name English
3-BROMO-3-METHYLBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 3-BROMO-3-METHYL-
Systematic Name English
3-BROMO-3-METHYLBUTYRIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
567820
Created by admin on Sat Dec 16 09:00:15 GMT 2023 , Edited by admin on Sat Dec 16 09:00:15 GMT 2023
PRIMARY
MERCK INDEX
m593
Created by admin on Sat Dec 16 09:00:15 GMT 2023 , Edited by admin on Sat Dec 16 09:00:15 GMT 2023
PRIMARY Merck Index
FDA UNII
YG702AHZ0D
Created by admin on Sat Dec 16 09:00:15 GMT 2023 , Edited by admin on Sat Dec 16 09:00:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID60340833
Created by admin on Sat Dec 16 09:00:15 GMT 2023 , Edited by admin on Sat Dec 16 09:00:15 GMT 2023
PRIMARY
CAS
5798-88-9
Created by admin on Sat Dec 16 09:00:15 GMT 2023 , Edited by admin on Sat Dec 16 09:00:15 GMT 2023
PRIMARY