Cas no 66473-01-6 (6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID)

6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID structure
66473-01-6 structure
Product Name:6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID
CAS No:66473-01-6
MF:C18H22O2
MW:270.366085529327
CID:964068
PubChem ID:21182281
Update Time:2025-04-19

6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 6-N-HEPTYLNAPHTHALENE-2-CARBOXYLIC ACID
    • 6-n-Heptylnaphthalene-2-carboxylic acidneat
    • 6-heptylnaphthalene-2-carboxylic acid
    • 66473-01-6
    • SCHEMBL7331987
    • 6-Heptyl-2-naphthoic acid
    • DB-113995
    • Inchi: 1S/C18H22O2/c1-2-3-4-5-6-7-14-8-9-16-13-17(18(19)20)11-10-15(16)12-14/h8-13H,2-7H2,1H3,(H,19,20)
    • InChI Key: OURHICMQMQBYDD-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC2=C(C=1)C=CC(=C2)CCCCCCC)=O

Computed Properties

  • Exact Mass: 270.16200
  • Monoisotopic Mass: 270.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 7
  • Complexity: 300
  • 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: 37.3A^2
  • XLogP3: 6.2

Experimental Properties

  • PSA: 37.30000
  • LogP: 5.05090
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