Cas no 172915-65-0 (1,8-Naphthalenediol,2,7-dimethyl-(9CI))

1,8-Naphthalenediol,2,7-dimethyl-(9CI) structure
172915-65-0 structure
Product Name:1,8-Naphthalenediol,2,7-dimethyl-(9CI)
CAS No:172915-65-0
MF:C12H12O2
MW:188.222483634949
CID:851252
PubChem ID:15781272
Update Time:2025-04-19

1,8-Naphthalenediol,2,7-dimethyl-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,8-Naphthalenediol,2,7-dimethyl-(9CI)
    • Inchi： 1S/C12H12O2/c1-7-3-5-9-6-4-8(2)12(14)10(9)11(7)13/h3-6,13-14H,1-2H3
    • InChI Key： JEDCLPLCNCYUMA-UHFFFAOYSA-N
    • SMILES： OC1C(C)=CC=C2C=CC(C)=C(C2=1)O

Computed Properties

  • Exact Mass: 188.083729621g/mol
  • Monoisotopic Mass: 188.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 185
  • 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: 3.7
  • Topological Polar Surface Area: 40.5?2

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