Heptanoate | SBID = 1690 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 40.1
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.2
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 111.9
Sum Formula: C7H13O2-
M / g/mol: 129.18
Complexity: 73.0
Number of Conformers: 10.0

Identifiers

  • Tags: anion, typical guest, charged
  • Name: Heptanoate
  • Preferred Abbreviation: Heptanoate
  • IUPAC Name: heptanoate
  • CAS: 7563-37-3
  • CID: 93052
  • InChiKey: MNWFXJYAOYHMED-UHFFFAOYSA-M
  • InChi: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
  • CanoSmiles: CCCCCCC(=O)[O-]
  • IsoSmiles: CCCCCCC(=O)[O-]