Trans-2-hexenoic acid | SBID = 1115 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 37.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.6
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 1.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 97.1
Sum Formula: C6H10O2
M / g/mol: 114.14
Complexity: 94.0
Number of Conformers: 7.0

Identifiers

  • Tags: typical guest
  • Name: Trans-2-hexenoic acid
  • Preferred Abbreviation: trans-2-Hexenoic acid
  • IUPAC Name: (E)-hex-2-enoic acid
  • CAS: 1191-04-4
  • CID: 5282707
  • InChiKey: NIONDZDPPYHYKY-SNAWJCMRSA-N
  • InChi: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+
  • CanoSmiles: CCCC=CC(=O)O
  • IsoSmiles: CCC/C=C/C(=O)O