Cas no 61109-48-6 (1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester)

1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester structure
61109-48-6 structure
Product Name:1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester
CAS No:61109-48-6
MF:C13H12O3
MW:216.232583999634
CID:491678
PubChem ID:10921906
Update Time:2025-04-19

1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester
    • methyl 6-methoxynaphthalene-1-carboxylate
    • SCHEMBL2237855
    • 61109-48-6
    • DTXSID20448445
    • METHYL 6-METHOXY-1-NAPHTHOATE
    • 6-methoxy-1-naphthalenecarboxylic acid methyl ester
    • OIEDIIUKHOBNIG-UHFFFAOYSA-N
    • methyl 6-methoxynaphthoate
    • G75669
    • Inchi: 1S/C13H12O3/c1-15-10-6-7-11-9(8-10)4-3-5-12(11)13(14)16-2/h3-8H,1-2H3
    • InChI Key: OIEDIIUKHOBNIG-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2=C(C(=O)OC)C=CC=C2C=1

Computed Properties

  • Exact Mass: 216.07866
  • Monoisotopic Mass: 216.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 252
  • 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
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53

1-Naphthalenecarboxylic acid, 6-methoxy-, methyl ester Pricemore >>

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