Cas no 75965-68-3 (1-Naphthalenecarboxaldehyde, 2-hydroxy-4-methoxy-)

1-Naphthalenecarboxaldehyde, 2-hydroxy-4-methoxy- structure
75965-68-3 structure
Product Name:1-Naphthalenecarboxaldehyde, 2-hydroxy-4-methoxy-
CAS No:75965-68-3
MF:C12H10O3
MW:202.206003665924
CID:538728
PubChem ID:12583363
Update Time:2025-04-19

1-Naphthalenecarboxaldehyde, 2-hydroxy-4-methoxy- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxaldehyde, 2-hydroxy-4-methoxy-
    • 2-hydroxy-4-methoxynaphthalene-1-carbaldehyde
    • DTXSID80503362
    • 75965-68-3
    • SCHEMBL1002684
    • Inchi: 1S/C12H10O3/c1-15-12-6-11(14)10(7-13)8-4-2-3-5-9(8)12/h2-7,14H,1H3
    • InChI Key: JLBMPYAZDDFPSV-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(C=O)=C2C=CC=CC2=1)O

Computed Properties

  • Exact Mass: 202.063
  • Monoisotopic Mass: 202.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 229
  • 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: 2.8
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53
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