Molecular structure of Capillarisin (CAS NO.56365-38-9) is:
Product Name: Capillarisin
CAS Registry Number: 56365-38-9
IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenoxy)-6-methoxychromen-4-one
Molecular Weight: 316.26228 [g/mol]
Molecular Formula: C16H12O7
XLogP3-AA: 2.7
H-Bond Donor: 3
H-Bond Acceptor: 7
Index of Refraction: 1.695
Molar Refractivity: 78.38 cm3
Molar Volume: 203.8 cm3
Surface Tension: 75.2 dyne/cm
Density: 1.551 g/cm3
Flash Point: 221.1 °C
Enthalpy of Vaporization: 90.32 kJ/mol
Boiling Point: 582.6 °C at 760 mmHg
Vapour Pressure: 3.59E-14 mmHg at 25 °C
Product Categories: Flavones
Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)OC3=CC=C(C=C3)O)O
InChI: InChI=1S/C16H12O7/c1-21-16-11(19)6-12-14(15(16)20)10(18)7-13(23-12)22-9-4-2-8(17)3-5-9/h2-7,17,19-20H,1H3
InChIKey: NTKNGUAZSFAKEE-UHFFFAOYSA-N
Capillarisin , its cas register number is 56365-38-9. It also can be called 5,7-Dihydroxy-2-(4-hydroxyphenoxy)-6-methoxychromen-4-one ; 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-(4-hydroxyphenoxy)-6-methoxy- .
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