Cas no 568-70-7 (Benz[a]anthracene-12-methanol,7-methyl-)

Benz[a]anthracene-12-methanol,7-methyl- structure
568-70-7 structure
Product Name:Benz[a]anthracene-12-methanol,7-methyl-
CAS No:568-70-7
MF:C20H16O
MW:272.340445518494
CID:371129
PubChem ID:11284
Update Time:2025-04-19

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

Names and Identifiers

    • Benz[a]anthracene-12-methanol,7-methyl-
    • (7-methylbenzo[a]anthracen-12-yl)methanol
    • 12-hydroxymethyl-7-methylbenz(a)anthracene
    • (7-Methyl-12-tetraphenyl)methanol
    • (7-Methyltetraphen-12-yl)methanol
    • 12-(HYDROXYMETHYL)-7-METHYLBENZ[A]ANTHRACENE
    • NS00115898
    • 12-(Hydroxymethyl)-7-methylbenz(a)anthracene
    • CCRIS 1083
    • DTXSID00205351
    • GGC25LD9H3
    • 568-70-7
    • BRN 1986151
    • 7-Methyl-12-hydroxymethylbenz(a)anthracene
    • BENZ(a)ANTHRACENE-12-METHANOL, 7-METHYL-
    • UNII-GGC25LD9H3
    • 7-Methylbenz(a)anthracene-12-methanol
    • Inchi： 1S/C20H16O/c1-13-15-7-4-5-9-18(15)19(12-21)20-16(13)11-10-14-6-2-3-8-17(14)20/h2-11,21H,12H2,1H3
    • InChI Key： JNJPGADWNSQMQP-UHFFFAOYSA-N
    • SMILES： OCC1C2C=CC=CC=2C(C)=C2C=CC3C=CC=CC=3C2=1

Computed Properties

  • Exact Mass: 272.12018
  • Monoisotopic Mass: 272.12
  • 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: 20.2A^2

Experimental Properties

  • Density: 1.0523 (rough estimate)
  • Boiling Point: 375.4°C (rough estimate)
  • Flash Point: 225.9°C
  • Refractive Index: 1.6700 (estimate)
  • PSA: 20.23

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