Cas no 22504-86-5 (1-Naphthalenehexanoic acid)

1-Naphthalenehexanoic acid structure
1-Naphthalenehexanoic acid structure
Product Name:1-Naphthalenehexanoic acid
CAS No:22504-86-5
MF:C16H18O2
MW:242.312924861908
CID:1410529
PubChem ID:23165290
Update Time:2025-04-20

1-Naphthalenehexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenehexanoic acid
    • 22504-86-5
    • DTXSID201311092
    • 6-(1-naphthyl)hexanoic acid
    • AKOS013751814
    • SCHEMBL6842066
    • Inchi： 1S/C16H18O2/c17-16(18)12-3-1-2-7-13-9-6-10-14-8-4-5-11-15(13)14/h4-6,8-11H,1-3,7,12H2,(H,17,18)
    • InChI Key： IIFIQTCFHBQJOZ-UHFFFAOYSA-N
    • SMILES： OC(CCCCCC1C=CC=C2C=CC=CC=12)=O

Computed Properties

  • Exact Mass: 242.13074
  • Monoisotopic Mass: 242.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 262
  • 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: 4.8
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

1-Naphthalenehexanoic acid Related Literature

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