Cas no 568-75-2 (Benz[a]anthracene-7-methanol,12-methyl-)

Benz[a]anthracene-7-methanol,12-methyl- structure
568-75-2 structure
Product Name:Benz[a]anthracene-7-methanol,12-methyl-
CAS No:568-75-2
MF:C20H16O
MW:272.340445518494
CID:371942
PubChem ID:11285
Update Time:2025-04-19

Benz[a]anthracene-7-methanol,12-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benz[a]anthracene-7-methanol,12-methyl-
    • (12-methylbenzo[a]anthracen-7-yl)methanol
    • 7-hydroxymethyl-12-methylbenz(a)anthracene
    • [3H]-7-Hydroxymethyl-12-methylbenz[a]anthracene
    • 12-Hydroxymethyl-7-methylbenz<a>anthracen
    • 12-Methylbenz[a]anthracene-7-methanol
    • 7-(Hydroxymethyl)-12-methylbenz(a)anthracene
    • 7-Hydroxymethyl-12-Dimethylbenzo<a>anthracene
    • 7-Hydroxymethyl-12-methylbenz<a>anthracen
    • BENZ(a)ANTHRACENE-7-METHANOL,12-METHYL
    • BENZ(a)ANTHRACENE-7-METHANOL, 12-METHYL-
    • Benz[a]anthracene-7-methanol, 12-methyl-
    • NS00115899
    • CCRIS 1082
    • Q27156070
    • C19561
    • 12-Methylbenz(a)anthracene-7-methanol
    • CHEBI:82559
    • 7-(Hydroxymethyl)-12-methylbenz[a]anthracene
    • 7-HM-12-MBA
    • L6MWC2VTY9
    • 7-Hydroxymethyl-12-methylbenz[a]anthracene
    • DTXSID20205353
    • FT-0749972
    • BRN 2056478
    • 568-75-2
    • Hydroxymethyl-12-methylbenz-[a]-anthracene, 7-
    • Inchi： 1S/C20H16O/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11,21H,12H2,1H3
    • InChI Key： JCBBZYDVQJQMMB-UHFFFAOYSA-N
    • SMILES： OCC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1

Computed Properties

  • Exact Mass: 272.12000
  • Monoisotopic Mass: 272.120115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 365
  • 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: 4.5
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Density: 1.0523 (rough estimate)
  • Melting Point: 162-163 °C
  • Boiling Point: 375.4°C (rough estimate)
  • Flash Point: 225.9°C
  • Refractive Index: 1.6700 (estimate)
  • PSA: 20.23000
  • LogP: 4.94690

Benz[a]anthracene-7-methanol,12-methyl- Related Literature

568-75-2 (Benz[a]anthracene-7-methanol,12-methyl-) Related Products

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