5-Hexenoic acid

• Catalog Number: ACM1577226
• Product Name: 5-Hexenoic acid
• CAS: 1577-22-6
• Category: Heterocyclic Organic Compound
• Synonyms: J-640339; DTXSID30166305; XUDOZULIAWNMIU-UHFFFAOYSA-N; MCULE-6043142578; SCHEMBL60128; AC1L25M8; FT-0620448; UNII-5HL6OL352W; MFCD00046558; SC-93956
• IUPAC Name: hex-5-enoic acid
• Molecular Weight: 114.144g/mol
• Molecular Formula: C6H10O2
• Canonical SMILES: C=CCCCC(=O)O
• InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
• InChI Key: XUDOZULIAWNMIU-UHFFFAOYSA-N
• Melting Point: -37.0°C
• Complexity: 86.5
• Covalently-Bonded Unit Count: 1
• Exact Mass: 114.068g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 8
• Monoisotopic Mass: 114.068g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 37.3A^2
• UNII: 5HL6OL352W