Cas no 460719-65-7 (4-(3-Hydroxynaphthalen-2-yl)butanoic acid)

4-(3-Hydroxynaphthalen-2-yl)butanoic acid structure
460719-65-7 structure
Product Name:4-(3-Hydroxynaphthalen-2-yl)butanoic acid
CAS No:460719-65-7
MF:C14H14O3
MW:230.259164333344
CID:2828181
PubChem ID:71361647
Update Time:2025-04-21

4-(3-Hydroxynaphthalen-2-yl)butanoic acid Chemical and Physical Properties

Names and Identifiers

    • DTXSID30785313
    • 4-(3-Hydroxynaphthalen-2-yl)butanoic acid
    • 460719-65-7
    • Inchi: 1S/C14H14O3/c15-13-9-11-5-2-1-4-10(11)8-12(13)6-3-7-14(16)17/h1-2,4-5,8-9,15H,3,6-7H2,(H,16,17)
    • InChI Key: ZZPJLILBXJOYBC-UHFFFAOYSA-N
    • SMILES: OC1=CC2C=CC=CC=2C=C1CCCC(=O)O

Computed Properties

  • Exact Mass: 230.094294304Da
  • Monoisotopic Mass: 230.094294304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 57.5?2
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