CAS No.1090-65-9,2,3-Dihydro-7-hydroxy-5-methoxy-2-phenyl-4H-1-benzopyran-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1090-65-9
Name:	2,3-Dihydro-7-hydroxy-5-methoxy-2-phenyl-4H-1-benzopyran-4-one
Article Data:	5

Formula:	C₁₆H₁₄O₄
Molecular Weight:	270.285
Synonyms:	7-hydroxy-5-methoxy-2-phenyl-chroman-4-one;7-Hydroxy-5-methoxy-2-phenyl-chroman-4-on;
Density:	1.284 g/cm³
Melting Point:	225 °C
Boiling Point:	494.9 °C at 760 mmHg
Flash Point:	188.8 °C
PSA:	55.76000
LogP:	3.10730

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Specification

This chemical is called 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-2-phenyl-, and its systematic name is 7-hydroxy-5-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one. With the molecular formula of C₁₆H₁₄O₄, its molecular weight is 270.28. The CAS registry number of this chemical is 1090-65-9.

Other characteristics of the 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-2-phenyl- can be summarised as followings: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 382.48; (6)ACD/BCF (pH 7.4): 180.04; (7)ACD/KOC (pH 5.5): 2445.96; (8)ACD/KOC (pH 7.4): 1151.37; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 73.16 cm³; (15)Molar Volume: 210.4 cm³; (16)Polarizability: 29×10^-24cm³; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.284 g/cm³; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 79.13 kJ/mol; (21)Boiling Point: 494.9 °C at 760 mmHg; (22)Vapour Pressure: 2.03E-10 mmHg at 25°.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3OC
2.InChI: InChI=1/C16H14O4/c1-19-14-7-11(17)8-15-16(14)12(18)9-13(20-15)10-5-3-2-4-6-10/h2-8,13,17H,9H2,1H3
3.InChIKey: QQQCWVDPMPFUGF-UHFFFAOYAB