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18651-15-5

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Basic Information
CAS No.: 18651-15-5
Name: 7-HYDROXY-3-METHYLFLAVONE
Article Data: 7
Molecular Structure:
Molecular Structure of 18651-15-5 (7-HYDROXY-3-METHYLFLAVONE)
Formula: C16H12O3
Molecular Weight: 252.269
Synonyms: Flavone,7-hydroxy-3-methyl- (7CI,8CI);3-Methyl-7-hydroxyflavone;7-Hydroxy-3-methylflavone;
Density: 1.289 g/cm3
Melting Point: 278 °C
Boiling Point: 452.2 °C at 760 mmHg
Flash Point: 173.3 °C
PSA: 50.44000
LogP: 3.47400
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Specification

The 4H-1-Benzopyran-4-one,7-hydroxy-3-methyl-2-phenyl-, with the CAS registry number 18651-15-5, is also known as NCGC00017188-01. It belongs to the product category of Di-substituted Flavones. This chemical's molecular formula is C16H12O3 and molecular weight is 252.26468. Its IUPAC name is called 7-hydroxy-3-methyl-2-phenylchromen-4-one.

Physical properties of 4H-1-Benzopyran-4-one,7-hydroxy-3-methyl-2-phenyl-: (1)ACD/LogP: 3.42; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.643; (6)Molar Refractivity: 70.79 cm3; (7)Molar Volume: 195.6 cm3; (8)Surface Tension: 52.7 dyne/cm; (9)Density: 1.289 g/cm3; (10)Flash Point: 173.3 °C; (11)Enthalpy of Vaporization: 73.87 kJ/mol; (12)Boiling Point: 452.2 °C at 760 mmHg; (13)Vapour Pressure: 8.57E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=CC=C3
(2)InChI: InChI=1S/C16H12O3/c1-10-15(18)13-8-7-12(17)9-14(13)19-16(10)11-5-3-2-4-6-11/h2-9,17H,1H3
(3)InChIKey: SUNCCQBNDWHMPR-UHFFFAOYSA-N