Cas no 175161-44-1 (2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl-)

2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl- structure
175161-44-1 structure
Product Name:2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl-
CAS No:175161-44-1
MF:C12H10O3
MW:202.206003665924
CID:832460
PubChem ID:73013816
Update Time:2025-04-19

2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl-
    • 4-HYDROXY-5-METHYL-2-NAPHTHALENECARBOXYLIC ACID
    • 4-hydroxy-5-methylnaphthalene-2-carboxylic acid
    • 4-hydroxy-5-methyl-2-naphthoic acid
    • LogP
    • 2-Naphthalenecarboxylic acid,4-hydroxy-5-methyl-
    • 175161-44-1
    • Inchi: 1S/C12H10O3/c1-7-3-2-4-8-5-9(12(14)15)6-10(13)11(7)8/h2-6,13H,1H3,(H,14,15)
    • InChI Key: ULBVJZQHBHJPNL-UHFFFAOYSA-N
    • SMILES: OC1=CC(C(=O)O)=CC2=CC=CC(C)=C21

Computed Properties

  • Exact Mass: 202.063
  • Monoisotopic Mass: 202.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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: 2.7
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

2-Naphthalenecarboxylic acid, 4-hydroxy-5-Methyl- Related Literature

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