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6472-38-4

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Basic Information
CAS No.: 6472-38-4
Name: Morin dihydrate
Molecular Structure:
Molecular Structure of 6472-38-4 (Morin dihydrate)
Formula: C15H14O9
Molecular Weight: 338.271
Synonyms: Flavone,2',3,4',5,7-pentahydroxy-, dihydrate (8CI);4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate (9CI);
Boiling Point: 787.1 °C at 760 mmHg
Flash Point: 429.8 °C
PSA: 149.82000
LogP: 1.85940
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Specification

The Morin dihydrate, with the CAS registry number 6472-38-4, is also known as 4H-1-Benzopyran-4-one, 2-(2, 4-dihydroxyphenyl)-3, 5, 7-trihydroxy-,dihydrate. This chemical's molecular formula is C15H14O9 and molecular weight is 338.27. What's more, its systematic name is 2-(2, 4-Dihydroxyphenyl)-3, 5, 7-trihydroxy-4H-chromen-4-one dehydrate.

Physical properties about Morin dihydrate are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.71; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 9; (7)#H bond donors: 9; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 127.45 Å2; (10)Flash Point: 429.8 °C; (11)Enthalpy of Vaporization: 120.1 kJ/mol; (12)Boiling Point: 787.1 °C at 760 mmHg; (13)Vapour Pressure: 4.18E-26 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O.O.Oc3ccc(C=2Oc1cc(O)cc(O)c1C(=O)C=2O)c(O)c3
(2) InChI: InChI=1/C15H10O7.2H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;;/h1-5,16-19,21H;2*1H2
(3) InChIKey: AEVKYFNHIADTEI-UHFFFAOYAD