(S)-α-Methoxyphenylacetate | SBID = 1808 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
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: 165.17
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, anion, typical guest, charged
  • Name: (S)-α-Methoxyphenylacetate
  • Preferred Abbreviation: (S)-α-Methoxyphenylacetate
  • IUPAC Name:
  • CAS:
  • CID: -734
  • InChiKey: DIWVBIXQCNRCFE-UHFFFAOYSA-M
  • InChi: InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/p-1
  • CanoSmiles: CO[C@@H](c1ccccc1)C(=O)[O-]
  • IsoSmiles: O=C([O-])[C@@H](OC)C1=CC=CC=C1