Isovaleric-acid
Isovaleric-acid synonyms
Isovaleriansaeure; isobutylformic acid; 3-methyl-butanoic acid; 3-methylbutanoic acid; 3-Methylbutyric acid; 3,4-Diisovaleryl adrenaline; Butanoic acid, 3-methyl-, (R)-; Butanoic acid, 3-methyl-; 3-Methylbuttersaeure; isopropylacetic acid; 3-methylbutyric acid
Graphical representations:
View large 3D structure
Molecular Formula: C5H10O2
Natural Isotopic Abundance Mass: 102.1317
Mono-Isotopic Molecular Masses:
- C12N14: 102.0680795652
- C13N14: 107.0848537542
- C12N15: 102.0680795652
- C13N15: 107.0848537542
InChI string: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
PubChem Compound (CID): 10430CAS Registry number: 503-74-2 92634-50-9
Sigma-Aldrich: 129542_ALDRICH
ChEBI: CHEBI:28484
ChemIDplus: 092634509
ChemSpider: 11670395
MMDB: 57741.3
NMRShiftDB: 10018374
CambridgeSoft Corporation: 5305
LipidMAPS: LMFA01020181
NIST Chemistry WebBook: 1848049450
MMCD: cq_04956
MDL: MFCD00002726
PDB Compound ID: IVA
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)