Cas no 71845-01-7 ((3S)-3-Phenylheptanoic acid)

(3S)-3-Phenylheptanoic acid structure
(3S)-3-Phenylheptanoic acid structure
Product Name:(3S)-3-Phenylheptanoic acid
CAS No:71845-01-7
MF:C13H18O2
MW:206.280824184418
CID:545003
Update Time:2023-08-03

(3S)-3-Phenylheptanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, b-propyl-, (S)-
    • (3S)-3-phenylheptanoic acid
    • [S,(+)]-3-Phenylheptanoic acid
    • (3S)-3-Phenylheptanoic acid
    • Inchi: 1S/C13H18O2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3,(H,14,15)/t12-/m0/s1
    • InChI Key: YEUNYNJOKMJRMC-LBPRGKRZSA-N
    • SMILES: OC(C[C@@H](C1C=CC=CC=1)CCCC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 183
  • XLogP3: 3.8
  • Topological Polar Surface Area: 37.3

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