Cas no 13345-61-4 (Benz[a]anthracene-7-carboxaldehyde,12-methyl-)

Benz[a]anthracene-7-carboxaldehyde,12-methyl- structure
13345-61-4 structure
Product Name:Benz[a]anthracene-7-carboxaldehyde,12-methyl-
CAS No:13345-61-4
MF:C20H14O
MW:270.324565410614
CID:182005
PubChem ID:25894
Update Time:2025-04-19

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

Names and Identifiers

    • Benz[a]anthracene-7-carboxaldehyde,12-methyl-
    • 12-methylbenzo[a]anthracene-7-carbaldehyde
    • 7-FORMYL-12-METHYLBENZ(A)ANTHRACENE
    • 12-Methylbenz(a)anthracene-7-carboxaldehyde
    • 12-methyltetraphene-7-carbaldehyde
    • Benz(a)anthracene-7-carboxaldehyde, 12-methyl-
    • BRN 2460922
    • CCRIS 9013
    • DIP3B0K50N
    • 12-Methylbenz[a]anthracene-7-carbaldehyde
    • 7-Formyl-12-methylbenz[a]anthracene
    • 12-METHYLBENZ(A)ANTHRACENE-7-CARBALDEHYDE
    • 13345-61-4
    • Benz[a]anthracene-7-carboxaldehyde, 12-methyl-
    • YSPPOTFPQWTIAE-UHFFFAOYSA-N
    • 12-METHYLBENZO(A)ANTHRACENE-7-CARBALDEHYDE
    • 7-FORMYL-12-METHLBENZ[A]ANTHRACENE
    • UNII-DIP3B0K50N
    • 12-METHYL-7-TETRAPHENECARBALDEHYDE
    • 12-Methylbenz[a]anthracene-7-carboxaldehyde
    • DTXSID80158119
    • J54.851K
    • Q27276420
    • Inchi: 1S/C20H14O/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/h2-12H,1H3
    • InChI Key: YSPPOTFPQWTIAE-UHFFFAOYSA-N
    • SMILES: O=CC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C=CC2=1

Computed Properties

  • Exact Mass: 270.10452
  • Monoisotopic Mass: 270.104465
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 1
  • Complexity: 389
  • 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
  • Topological Polar Surface Area: 17.1
  • XLogP3: 5.5

Experimental Properties

  • Density: 1.0717 (rough estimate)
  • Boiling Point: 373.44°C (rough estimate)
  • Flash Point: 338.7°C
  • Refractive Index: 1.6700 (estimate)
  • PSA: 17.07
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