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5737-13-3

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Basic Information
CAS No.: 5737-13-3
Name: 4H-Cyclopenta[def]phenanthren-4-one
Article Data: 15
Molecular Structure:
Molecular Structure of 5737-13-3 (4H-Cyclopenta[def]phenanthren-4-one)
Formula: C15H8O
Molecular Weight: 204.228
Synonyms: 4,5-Phenanthryleneketone;NSC 132541;Cyclopenta(def)phenanthrenone;
Density: 1.381 g/cm3
Melting Point: 170 °C
Boiling Point: 411.6 °C at 760 mmHg
Flash Point: 185.9 °C
PSA: 17.07000
LogP: 3.38200
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Specification

The CAS register number of 4H-Cyclopenta(def)phenanthren-4-one is 5737-13-3. It also can be called as Cyclopenta(def)phenanthrenone and the systematic name about this chemical is 4H-cyclopenta[def]phenanthren-4-one. The molecular formula about this chemical is C15H8O and the molecular weight is 204.22. It belongs to the following product categories which include Alphabetic; C; CO - CZ and so on.

Physical properties about 4H-Cyclopenta(def)phenanthren-4-one are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 599.31; (5)ACD/BCF (pH 7.4): 599.31; (6)ACD/KOC (pH 5.5): 3387.22; (7)ACD/KOC (pH 7.4): 3387.22; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07Å2; (10)Index of Refraction: 1.832; (11)Molar Refractivity: 65.01 cm3; (12)Molar Volume: 147.7 cm3; (13)Polarizability: 25.77x10-24cm3; (14)Surface Tension: 69.9 dyne/cm; (15)Enthalpy of Vaporization: 66.41 kJ/mol; (16)Boiling Point: 411.6 °C at 760 mmHg; (17)Vapour Pressure: 5.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4c2cccc1ccc3c(c12)c4ccc3
(2)InChI: InChI=1/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
(3)InChIKey: IFCBMPOMNSORDG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
(5)Std. InChIKey: IFCBMPOMNSORDG-UHFFFAOYSA-N