Cas no 4527-60-0 (5-methylnaphthalene-1-carboxylic acid)

5-methylnaphthalene-1-carboxylic acid structure
4527-60-0 structure
Product Name:5-methylnaphthalene-1-carboxylic acid
CAS No:4527-60-0
MF:C12H10O2
MW:186.206603527069
CID:1519805
PubChem ID:13454957
Update Time:2025-04-21

5-methylnaphthalene-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • N-(2-bromophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
    • MCULE-9389269784
    • Oprea1_450725
    • 1-methyl-5-naphthoic acid
    • STK376227
    • 5-Methyl-naphthoesaeure-(1)
    • ZINC00997476
    • AKOS003269387
    • AC1LOJOD
    • 5-methylnaphthalene-1-carboxylic acid
    • AK-968/12164595
    • MCULE-9389269784; Oprea1_450725; 1-methyl-5-naphthoic acid; STK376227; 5-Methyl-naphthoesaeure-(1); ZINC00997476; AKOS003269387; AC1LOJOD; 5-methylnaphthalene-1-carboxylic acid; AK-968/12164595;
    • 5NE
    • 1-Methylnaphthalene-5-carboxylic acid
    • CHEBI:79082
    • AKOS022642150
    • VLEZTIKHFUAVRK-UHFFFAOYSA-N
    • 5-methyl-1-naphthoic acid
    • 4527-60-0
    • EN300-119225
    • C20803
    • 1-Methylnaphthalene-5-carboxylicacid
    • SCHEMBL3197711
    • Q27148147
    • Z1255382591
    • Inchi: 1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
    • InChI Key: VLEZTIKHFUAVRK-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC2=C(C)C=CC=C21)=O

Computed Properties

  • Exact Mass: 422.00895
  • Monoisotopic Mass: 422.008846
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 504
  • 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
  • Topological Polar Surface Area: 70.2
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.496
  • Boiling Point: 504.5°C at 760 mmHg
  • Flash Point: 258.9°C
  • Refractive Index: 1.724
  • PSA: 41.99

5-methylnaphthalene-1-carboxylic acid Pricemore >>

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