Cas no 82-03-1 (7H-Benz[de]anthracen-7-one,2-methyl-)

7H-Benz[de]anthracen-7-one,2-methyl- structure
82-03-1 structure
Product Name:7H-Benz[de]anthracen-7-one,2-methyl-
CAS No:82-03-1
MF:C18H12O
MW:244.287284851074
CID:730869
PubChem ID:233526
Update Time:2025-04-19

7H-Benz[de]anthracen-7-one,2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 7H-Benz[de]anthracen-7-one,2-methyl-
    • NSC 32100
    • NSC-32100
    • 7H-Benz[de]anthracen-7-one, 2-methyl-
    • 2-Methyl-7H-benzo[de]anthracen-7-one
    • 2-Methylbenzanthron
    • NSC32100
    • 2-Methylbenzanthrone
    • DTXSID401002362
    • 82-03-1
    • Inchi: 1S/C18H12O/c1-11-9-12-5-4-8-15-17(12)16(10-11)13-6-2-3-7-14(13)18(15)19/h2-10H,1H3
    • InChI Key: KZVJTAYLEAJHMU-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2C2C=C(C)C=C3C=CC=C1C=23

Computed Properties

  • Exact Mass: 244.089
  • Monoisotopic Mass: 244.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 374
  • 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: 4.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.251
  • Boiling Point: 448.2°Cat760mmHg
  • Flash Point: 200.8°C
  • Refractive Index: 1.713
  • PSA: 17.07000
  • LogP: 4.35960
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