The Molecular Structure of 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4):

Molecular Formula: C₂₀H₁₄O
Molecular Weight: 270.324560 g/mol
Index of Refraction: 1.77
Molar Refractivity: 91.35 cm³
Molar Volume: 219.7 cm³
Surface Tension: 56.1 dyne/cm
Density: 1.23 g/cm³
Flash Point: 338.7 °C
Enthalpy of Vaporization: 77.88 kJ/mol
Boiling Point: 508.5 °C at 760 mmHg
Vapour Pressure: 1.85E-10 mmHg at 25°C 
Classification Code: Mutation data,Tumor data 
InChI
InChI=1/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
Smiles
c12c(c(c3ccccc3c2C)C=O)ccc2c1cccc2 
The IUPAC of 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4) is 12-methylbenzo[b]phenanthrene-7-carbaldehyde .

Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

 7-Formyl-12-methylbenz(a)anthracene (CAS NO.13345-61-4) is also called as 12-Methylbenz(a)anthracene-7-carboxaldehyde ; 3-07-00-02816 (Beilstein Handbook Reference) ; BRN 2460922 ; CCRIS 9013 ; Benz(a)anthracene-7-carboxaldehyde, 12-methyl- .