Valeric Acid
Valeric synonyms
1-Butanecarboxylic acid; n-Pentanoic acid; n-Valeric acid; Valeriansaeure; Propylacetic acid; VALERIC ACID, N-; CH3-[CH2]3-COOH; PENTANOIC ACID; Valeric acid, normal; Kyselina valerova [Czech]; LAEVULINIC 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/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
PubChem Compound (CID): 7991CAS Registry number: 12124-87-7 109-52-4 556-38-7 42739-38-8 70268-41-6 6106-41-8 19455-21-1
Sigma-Aldrich: 75054_FLUKA
ChEBI: CHEBI:17418
HSDB: 5390
FEMA No.: 3101
ChemIDplus: 000109524
ChemSpider: 11282289
EINECS: 203-677-2
NMRShiftDB: 8237
EPA DSSTox: 1655
LipidMAPS: LMFA01010005
ZINC: ZINC05955167
SMID: SHF
DrugBank: EXPT02547
KEGG Compound ID: C00803
Beilstein Handbook Reference: 4-02-00-00868
ChemDB: 3969352
NIST Chemistry WebBook: 122901859
PDB Compound ID: LEA PEI
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)