-
Name
Lysionotin
- EINECS
- CAS No. 152743-19-6
- Density 1.387g/cm3
- Solubility
- Melting Point
- Formula C18H16O7
- Boiling Point 615 °C at 760 mmHg
- Molecular Weight 344.317
- Flash Point 227 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Nevadensin
- PSA 98.36000
- LogP 2.89700
Lysionotin Specification
The Lysionotin, with CAS registry number 152743-19-6, has the systematic name of 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one. Besides this, it is also called 4H-1-benzopyran-4-one, 5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-. And the chemical formula of this chemical is C18H16O7.
Physical properties of Lysionotin: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 12.46; (6)ACD/BCF (pH 7.4): 1.62; (7)ACD/KOC (pH 5.5): 207.27; (8)ACD/KOC (pH 7.4): 26.97; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 88 cm3; (15)Molar Volume: 248.1 cm3; (16)Polarizability: 34.88×10-24cm3; (17)Surface Tension: 57 dyne/cm; (18)Enthalpy of Vaporization: 94.59 kJ/mol; (19)Vapour Pressure: 1.02E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccc(OC)cc2)c(OC)c(O)c(OC)c3O
(2)InChI: InChI=1/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
(3)InChIKey: KRFBMPVGAYGGJE-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
(5)Std. InChIKey: KRFBMPVGAYGGJE-UHFFFAOYSA-N
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