Cas no 60756-73-2 (desmethylnaproxen)

desmethylnaproxen structure
desmethylnaproxen structure
Product Name:desmethylnaproxen
CAS No:60756-73-2
MF:C13H12O3
MW:216.232583999634
CID:953468
PubChem ID:162920
Update Time:2025-04-19

desmethylnaproxen Chemical and Physical Properties

Names and Identifiers

    • desmethylnaproxen
    • 2-naphthaleneacetic acid, 6-hydroxy-alpha-methyl-
    • 2-(6-Hydroxy-naphthalen-2-yl)-propionic acid
    • 60756-73-2
    • DB-103478
    • AKOS023801034
    • 2-(6-Hydroxynaphthalen-2-yl)-propionic acid
    • DTXSID801016131
    • 2-(6-hydroxynaphthalen-2-yl)propanoic acid
    • 6-Desmethylnaproxen
    • XWJUDDGELKXYNO-UHFFFAOYSA-N
    • racemic 6-hydroxy-alpha-methyl-2-naphthalene acetic acid
    • SCHEMBL554068
    • NS00096977
    • 6-hydroxy-2-naphthyl-alpha-methylacetic acid
    • 2-(6-Hydroxynaphthalen-2-yl)propionic acid
    • (S)-O-Desmethylnaproxen
    • 6-hydroxy-alpha-methyl-2-naphthaleneacetic acid
    • DB-260064
    • racemic 6-hydroxy-alpha-methyl-2-naphthaleneacetic acid
    • 2-(6-hydroxy-2-naphthyl)propanoic acid
    • Inchi: 1S/C13H12O3/c1-8(13(15)16)9-2-3-11-7-12(14)5-4-10(11)6-9/h2-8,14H,1H3,(H,15,16)
    • InChI Key: XWJUDDGELKXYNO-UHFFFAOYSA-N
    • SMILES: OC(C(C)C1C=CC2C=C(C=CC=2C=1)O)=O

Computed Properties

  • Exact Mass: 216.07866
  • Monoisotopic Mass: 216.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 264
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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