Cas no 57309-83-8 (1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-)

1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy- structure
57309-83-8 structure
Product Name:1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-
CAS No:57309-83-8
MF:C20H22O3
MW:310.386886119843
CID:380982
PubChem ID:54609968
Update Time:2025-04-19

1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-
    • 1,4-Naphthoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-3-hydroxy-
    • 2-geranyl-3,5-dihydroxy-bibenzyl
    • 1, 2-(3,7-dimethyl-2,6-octadienyl)-3-hydroxy-
    • NSC-114803
    • 57309-83-8
    • NSC114803
    • Inchi： 1S/C20H22O3/c1-13(2)7-6-8-14(3)11-12-17-18(21)15-9-4-5-10-16(15)19(22)20(17)23/h4-5,7,9-11,21H,6,8,12H2,1-3H3/b14-11-
    • InChI Key： YOWVZXDJGGGRSC-KAMYIIQDSA-N
    • SMILES： OC1C2C=CC=CC=2C(C(C=1C/C=C(/C)\CC/C=C(\C)/C)=O)=O

Computed Properties

  • Exact Mass: 310.15700
  • Monoisotopic Mass: 310.157
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 574
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 4.6
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.141
  • Boiling Point: 472.3°C at 760 mmHg
  • Flash Point: 253.6°C
  • Refractive Index: 1.581
  • PSA: 54.37000
  • LogP: 4.96050

1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy- Related Literature

57309-83-8 (1,4-Naphthalenedione,2-(3,7-dimethyl-2,6-octadien-1-yl)-3-hydroxy-) Related Products

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