Cas no 16001-08-4 (1,5-Naphthalenedicarbonitrile,4,8-dimethoxy-)

1,5-Naphthalenedicarbonitrile,4,8-dimethoxy- structure
16001-08-4 structure
Product Name:1,5-Naphthalenedicarbonitrile,4,8-dimethoxy-
CAS No:16001-08-4
MF:C14H10N2O2
MW:238.241403102875
CID:209624
PubChem ID:299095
Update Time:2025-04-19

1,5-Naphthalenedicarbonitrile,4,8-dimethoxy- Chemical and Physical Properties

Names and Identifiers

    • 1,5-Naphthalenedicarbonitrile,4,8-dimethoxy-
    • NSC171537
    • 4,8-dimethoxynaphthalene-1,5-dicarbonitrile
    • DTXSID70305731
    • 16001-08-4
    • NSC-171537
    • Inchi: 1S/C14H10N2O2/c1-17-11-5-3-10(8-16)14-12(18-2)6-4-9(7-15)13(11)14/h3-6H,1-2H3
    • InChI Key: TYNHIGMPPFCAKC-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(C#N)=C2C(=CC=C(C#N)C2=1)OC

Computed Properties

  • Exact Mass: 238.0743
  • Monoisotopic Mass: 238.074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 353
  • 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: 2.6
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Density: 1.26
  • Boiling Point: 484.9°Cat760mmHg
  • Flash Point: 203.1°C
  • Refractive Index: 1.619
  • PSA: 66.04
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