(S)-(+)-alpha-Methoxyphenylacetic acid | SBID = 137 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 46.5
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.4
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 131.3
Sum Formula: C9H10O3
M / g/mol: 166.176
Complexity: 150.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest
  • Name: (S)-(+)-alpha-Methoxyphenylacetic acid
  • Preferred Abbreviation: (S)-(+)-alpha-Methoxyphenylacetic acid
  • IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid
  • CAS: 26164-26-1
  • CID: 643325
  • InChiKey: DIWVBIXQCNRCFE-QMMMGPOBSA-N
  • InChi: InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m0/s1
  • CanoSmiles: COC(C1=CC=CC=C1)C(=O)O
  • IsoSmiles: CO[C@@H](C1=CC=CC=C1)C(=O)O