Molecule structure of 3-Methyldibenz(a,h)anthracene (CAS NO.63041-84-9) :
IUPAC Name: 10-methylnaphtho[1,2-b]phenanthrene
Molecular Weight: 292.37314 g/mol
Molecular Formula: C23H16
Density: 1.207 g/cm3
Boiling Point: 535 °C at 760 mmHg
Flash Point: 271.7 °C
Index of Refraction: 1.788
Molar Refractivity: 102.44 cm3
Molar Volume: 242.1 cm3
Polarizability: 40.61*10-24 cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 78.09 kJ/mol
Vapour Pressure: 5.53E-11 mmHg at 25 °C
XLogP3: 7.6
Exact Mass: 292.125201
MonoIsotopic Mass: 292.125201
Heavy Atom Count: 23
Complexity: 426
Canonical SMILES: CC1=CC2=C(C=C1)C3=CC4=C(C=C3C=C2)C5=CC=CC=C5C=C4
InChI: InChI=1S/C23H16/c1-15-6-11-21-17(12-15)9-10-19-13-22-18(14-23(19)21)8-7-16-4-2-3-5-20(16)22/h2-14H,1H3
InChIKey of 3-Methyldibenz(a,h)anthracene (CAS NO.63041-84-9) : HWPZEPGEOVIYMU-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
3-Methyldibenz(a,h)anthracene (CAS NO.63041-84-9) is also called 3'-Methyl-1:2:5:6-dibenzanthracene ; 4-05-00-02727 (Beilstein Handbook Reference) ; BRN 3310872 ; Dibenz(a,h)anthracene, 3-methyl- .
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