Przewaquinone B supplier | CasNO.76829-01-1

Name
Przewaquinone B
EINECS
CAS No. 76829-01-1
Density 1.418 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₂O₄
Boiling Point 438.5 °C at 760 mmHg
Molecular Weight 292.2855
Flash Point 219 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phenanthro[1,2-b]furan-10,11-dione,1- (hydroxymethyl)-6-methyl-;
PSA
LogP

Przewaquinone B Specification

The Przewaquinone B is an organic compound with the formula C₁₈H₁₂O₄. The systematic name of this chemical is 1-(Hydroxymethyl)-6-methylphenanthro[1,2-b]furan-10,11-dione. The CAS registry number of this chemical is 76829-01-1. Besides, its molecular weight is 292.2855.

Physical properties about Przewaquinone B are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 2.8; (3)ACD/LogD (pH 7.4): 2.8; (4)ACD/BCF (pH 5.5): 78.93; (5)ACD/BCF (pH 7.4): 78.93; (6)ACD/KOC (pH 5.5): 793.7; (7)ACD/KOC (pH 7.4): 793.7; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 56.51 Å²; (12)Index of Refraction: 1.705; (13)Molar Refractivity: 80.08 cm³; (14)Molar Volume: 206 cm³; (15)Polarizability: 31.74×10^-24 cm³; (16)Surface Tension: 66.5 dyne/cm; (17)Density: 1.418 g/cm³; (18)Flash Point: 219 °C; (19)Enthalpy of Vaporization: 73.28 kJ/mol; (20)Boiling Point: 438.5 °C at 760 mmHg; (21)Vapour Pressure: 1.84E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(c1occ(c1C2=O)CO)ccc4c(cccc34)C
(2)InChI: InChI=1/C18H12O4/c1-9-3-2-4-12-11(9)5-6-13-15(12)17(21)16(20)14-10(7-19)8-22-18(13)14/h2-6,8,19H,7H2,1H3
(3)InChIKey: CETREAVXUDHZGK-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C18H12O4/c1-9-3-2-4-12-11(9)5-6-13-15(12)17(21)16(20)14-10(7-19)8-22-18(13)14/h2-6,8,19H,7H2,1H3
(5)Std. InChIKey: CETREAVXUDHZGK-UHFFFAOYSA-N

Product Name

Przewaquinone B

Przewaquinone B Specification

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