Cas no 21297-20-1 (1,7-dimethylbenzo[a]anthracene)

1,7-dimethylbenzo[a]anthracene structure
21297-20-1 structure
Product Name:1,7-dimethylbenzo[a]anthracene
CAS No:21297-20-1
MF:C20H16
MW:256.341045379639
CID:1404484
PubChem ID:146691
Update Time:2025-04-20

1,7-dimethylbenzo[a]anthracene Chemical and Physical Properties

Names and Identifiers

    • 1,7-dimethylbenzo[a]anthracene
    • BRN 3275432
    • LS-27744
    • Benz(a)anthracene, 1,7-dimethyl-
    • 1,7-dimethyl-benz[a]anthracene
    • AC1L3TQ5
    • 1,7-Dimethylbenz(a)anthracene
    • 1,7-Dimethyl benz(a)anthracene
    • BRN 3275432; LS-27744; Benz(a)anthracene, 1,7-dimethyl-; 1,7-dimethyl-benz[a]anthracene; AC1L3TQ5; 1,7-Dimethylbenz(a)anthracene; 1,7-Dimethyl benz(a)anthracene;
    • 7,1-dimethylbenz[a]anthracene
    • B2GDJ4NE3X
    • DTXSID80175563
    • 1,7-Dimethylbenz[a]anthracene
    • Dimethylbenz[a]anthracene, 1,7-
    • Benz[a]anthracene, 1,7-dimethyl-
    • 21297-20-1
    • Inchi: 1S/C20H16/c1-13-6-5-8-15-10-11-18-14(2)17-9-4-3-7-16(17)12-19(18)20(13)15/h3-12H,1-2H3
    • InChI Key: JXJZPLFXLVQFEI-UHFFFAOYSA-N
    • SMILES: C12=CC3C=CC=CC=3C(C)=C1C=CC1C=CC=C(C)C2=1

Computed Properties

  • Exact Mass: 256.12500
  • Monoisotopic Mass: 256.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 346
  • 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: 5.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 5.76300
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