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63019-40-9

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Basic Information
CAS No.: 63019-40-9
Name: 4-HYDROXYCHRYSENE
Molecular Structure:
Molecular Structure of 63019-40-9 (4-HYDROXYCHRYSENE)
Formula: C18H12O
Molecular Weight: 244.293
Synonyms: 4-Hydroxychrysene;
Density: 1.284 g/cm3
Melting Point: 273-275 °C
Boiling Point: 498.2 °C at 760 mmHg
Flash Point: 240.4 °C
PSA: 20.23000
LogP: 4.85180
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Specification

The 4-Chrysenol is an organic compound with the formula C18H12O. The IUPAC name of this chemical is chrysen-4-ol. With the CAS registry number 63019-40-9, it is also named as chrysene, 4-hydroxy-.

Physical properties about 4-Chrysenol are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 5037.63; (6)ACD/BCF (pH 7.4): 4988.42; (7)ACD/KOC (pH 5.5): 15546.44; (8)ACD/KOC (pH 7.4): 15394.57; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.804; (14)Molar Refractivity: 81.66 cm3; (15)Molar Volume: 190.2 cm3; (16)Polarizability: 32.37×10-24cm3; (17)Surface Tension: 62 dyne/cm; (18)Density: 1.284 g/cm3; (19)Flash Point: 240.4 °C; (20)Enthalpy of Vaporization: 79.54 kJ/mol; (21)Boiling Point: 498.2 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cccc1ccc3c(c12)ccc4c3cccc4
(2)InChI: InChI=1/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H
(3)InChIKey: CZCGRCFUEPALNV-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H
(5)Std. InChIKey: CZCGRCFUEPALNV-UHFFFAOYSA-N