Cas no 101671-05-0 (5,8-dimethoxynaphthalene-1-carboxylic Acid)

5,8-dimethoxynaphthalene-1-carboxylic Acid structure
101671-05-0 structure
Product Name:5,8-dimethoxynaphthalene-1-carboxylic Acid
CAS No:101671-05-0
MF:C13H12O4
MW:232.231984138489
CID:1130480
PubChem ID:13618532
Update Time:2025-04-20

5,8-dimethoxynaphthalene-1-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 5,8-dimethoxynaphthalene-1-carboxylic Acid
    • DTXSID80545161
    • 101671-05-0
    • 5,8-dimethoxy-1-naphthoic acid
    • 1-Naphthalenecarboxylic acid, 5,8-dimethoxy-
    • Inchi: 1S/C13H12O4/c1-16-10-6-7-11(17-2)12-8(10)4-3-5-9(12)13(14)15/h3-7H,1-2H3,(H,14,15)
    • InChI Key: NQWBYFBMBXERBD-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=C(C2=CC=CC(C(=O)O)=C21)OC

Computed Properties

  • Exact Mass: 232.07356
  • Monoisotopic Mass: 232.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 279
  • 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: 2.6
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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