Molecular Structure of 3,4-Dihydro-2H-phenanthren-1-one (CAS No.573-22-8):
Molecular Formula: C14H12O
Molecular Weight: 196.24
CAS No: 573-22-8
Topological Polar Surface Area: 17.1
Heavy Atom Count: 15
Formal Charge: 0
Complexity: 258
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.651
Molar Refractivity: 61.01 cm3
Molar Volume: 166.8 cm3
Surface Tension: 49.5 dyne/cm
Density: 1.175 g/cm3
Flash Point: 162.1 °C
Enthalpy of Vaporization: 61.28 kJ/mol
Boiling Point: 366.4 °C at 760 mmHg
Vapour Pressure: 1.47E-05 mmHg at 25°C
IUPAC Name: 3,4-Dihydro-2H-phenanthren-1-one
Canonical SMILES: C1CC2=C(C=CC3=CC=CC=C23)C(=O)C1
InChI: InChI=1S/C14H12O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-2,4-5,
8-9H,3,6-7H2
InChIKey: KBARGPSSEIXDQU-UHFFFAOYSA-N
3,4-Dihydro-2H-phenanthren-1-one (CAS No.573-22-8), it also can be called 1,2,3,4-Tetrahydro-1-phenanthrenone ; 1(2H)-phenanthrenone, 3,4-dihydro- ; 3,4-Dihydrophenanthren-1(2H)-one ; 1 (2H)-Phenanthrenone, 3,4-dihydro- ; 1-Keto-1,2,3,4-tetra-hydrophenanthrene ; 1-Oxo-1,2,3,4-tetrahydrophenanthrene .
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