3-Methoxyphenylacetate | SBID = 1711 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C9H9O3-
M / g/mol: 165.16596
Complexity:
Number of Conformers:

Identifiers

  • Tags: anion, charged
  • Name: 3-Methoxyphenylacetate
  • Preferred Abbreviation: 3-Methoxyphenylacetate
  • IUPAC Name:
  • CAS:
  • CID: -676
  • InChiKey: LEGPZHPSIPPYIO-UHFFFAOYSA-M
  • InChi: InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
  • CanoSmiles: COc1cccc(c1)CC(=O)[O-]
  • IsoSmiles: [O-]C(CC1=CC(OC)=CC=C1)=O