8-Methoxybenz[a]anthracene

Molecule structure of 5-Methoxy-1,2-benzanthracene (CAS NO.63019-69-2):

IUPAC Name: 8-Methoxybenzo[a]anthracene 
Molecular Weight: 258.31386 g/mol
Molecular Formula: C₁₉H₁₄O 
Density: 1.197 g/cm³ 
Boiling Point: 469.3 °C at 760 mmHg 
Flash Point: 193.1 °C
Index of Refraction: 1.733
Molar Refractivity: 86.45 cm³
Molar Volume: 215.7 cm³
Polarizability: 34.27×10^-24 cm³
Surface Tension: 50.5 dyne/cm 
Enthalpy of Vaporization: 70.36 kJ/mol
Vapour Pressure: 1.57E-08 mmHg at 25 °C
XLogP3: 6.1
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 258.104465
MonoIsotopic Mass: 258.104465
Topological Polar Surface Area: 9.2
Heavy Atom Count: 20
Complexity: 339
Canonical SMILES: COC1=CC=CC2=CC3=C(C=CC4=CC=CC=C43)C=C21
InChI: InChI=1S/C19H14O/c1-20-19-8-4-6-14-11-17-15(12-18(14)19)10-9-13-5-2-3-7-16(13)17/h2-12H,1H3
InChIKey: FIMRAZGXNOUPTR-UHFFFAOYSA-N
Classification Code of 5-Methoxy-1,2-benzanthracene (CAS NO.63019-69-2): Tumor data

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

 5-Methoxy-1,2-benzanthracene (CAS NO.63019-69-2) is also named as 1,2-Benz(a)anthracene, 5-methoxy- ; 4-06-00-05083 (Beilstein Handbook Reference) ; 8-Methoxybenz(a)anthracene ; BRN 1879220 ; Benz(a)anthracene, 8-methoxy- .