Isobutyric acid

• Isobutyric acid
• bmse000439 - data

InCHi String:
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

canonical and isomeric SMILES:
CC(C)C(=O)O


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-methylpropanoic acid

PUBCHEM iupac TRADITIONAL NAME
isobutyric acid



PubChem Substance (SID):   85165228   8144996   7990344
PubChem Compound (CID):   6590
KEGG: Compound ID   C02632
CAS Registry IDs:   19455-20-0   533-90-4   79-31-2   996-30-5   22228-82-6
PDB Chemical Component   ALQ   ISB
Miscellaneous Databases and IDs:   Sigma-Aldrich I1754_SIGMA   ChEBI CHEBI:16135   HSDB 5228   ChemIDplus 000079312   Caswell No. 503AA   ChemSpider 13886746   MMDB 26517.4   EINECS 201-195-7   NMRShiftDB 10016777   EPA Pesticide Chemical Code 101502   CambridgeSoft Corporation 5081   EPA DSSTox 1636   DrugBank DB04305   Beilstein Handbook Reference 4-02-00-00843   NIST Chemistry WebBook 1130356798