(r)-3-phenylbutyric acid | SBID = 163 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 37.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.2
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): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 135.7
Sum Formula: C10H12O2
M / g/mol: 164.204
Complexity: 148.0
Number of Conformers: 10.0

Identifiers

  • Tags:
  • Name: (r)-3-phenylbutyric acid
  • Preferred Abbreviation: (R)-3-Phenylbutyric acid
  • IUPAC Name: (3R)-3-phenylbutanoic acid
  • CAS: 772-14-5
  • CID: 852992
  • InChiKey: ZZEWMYILWXCRHZ-MRVPVSSYSA-N
  • InChi: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m1/s1
  • CanoSmiles: CC(CC(=O)O)C1=CC=CC=C1
  • IsoSmiles: C[C@H](CC(=O)O)C1=CC=CC=C1