InCHi String:
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
canonical and isomeric SMILES: CCCCCC(=O)O
PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAMEhexanoic acid
PubChem Substance (SID):
85165149 10507927 4740PubChem Compound (CID):
8892KEGG: Compound ID
C01585CAS Registry IDs: 70248-25-8 142-62-1
PDB Chemical Component
6NAMiscellaneous Databases and IDs:
Sigma-Aldrich 153745_ALDRICH
ChEBI CHEBI:30776 ChemBank NCIOpen2_005355
ChemIDplus 070248258
ChemSpider 11212699
MMDB 42999.3
EINECS 274-509-3
NMRShiftDB 10008717
EPA DSSTox 1607
NIST Chemistry WebBook 1331893900
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
