Cas no 185989-39-3 (2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester)

2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester structure
185989-39-3 structure
Product Name:2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester
CAS No:185989-39-3
MF:C12H10O4
MW:218.205403804779
MDL:MFCD24713663
CID:1379664
PubChem ID:11746080
Update Time:2025-04-20

2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester
    • methyl 3,5-dihydroxynaphthalene-2-carboxylate
    • MFCD24713663
    • AS-70630
    • 185989-39-3
    • SY269452
    • DB-109277
    • W12573
    • DTXSID60471737
    • AKOS030628205
    • Methyl 3,5-dihydroxy-2-naphthoate
    • CHEMBL145578
    • Methyl3,5-dihydroxy-2-naphthoate
    • ARAZFUMSUAUJRS-UHFFFAOYSA-N
    • methyl 3,5-dihydroxy-2-naphthoate(WXC04119)
    • SCHEMBL2239095
    • MDL： MFCD24713663
    • Inchi： 1S/C12H10O4/c1-16-12(15)9-5-7-3-2-4-10(13)8(7)6-11(9)14/h2-6,13-14H,1H3
    • InChI Key： ARAZFUMSUAUJRS-UHFFFAOYSA-N
    • SMILES： OC1C=C2C(=CC=CC2=CC=1C(=O)OC)O

Computed Properties

  • Exact Mass: 218.0579
  • Monoisotopic Mass: 218.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 266
  • 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: 2.9
  • Topological Polar Surface Area: 66.8?2

Experimental Properties

  • PSA: 66.76

2-Naphthalenecarboxylic acid, 3,5-dihydroxy-, methyl ester Pricemore >>

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