CAS No.654055-01-3,MORIN R. G. Suppliers

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Basic Information

Molecular Structure:
CAS No.:	654055-01-3
Name:	MORIN R. G.

Formula:	C₁₅H₁₀O₇.xH₂O
Molecular Weight:	338.271
Synonyms:	4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (9CI);Morin;
EINECS:	207-542-9
Density:	1.799 g/cm³
Melting Point:	299-300 °C (dec.)(lit.)
Boiling Point:	645.5 °C at 760 mmHg
Flash Point:	249.3 °C
Appearance:	Yellow to brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	140.59000
LogP:	1.92370

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Specification

The CAS register number of 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:?) is 654055-01-3. It also can be called as Morin and the systematic name about this chemical is 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one. The molecular formula about this chemical is C₁₅H₁₀O₇.xH₂O and the molecular weight is 302.24.

Physical properties about 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:?) are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 8.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 149.52; (8)ACD/KOC (pH 7.4): 7.29; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.823; (14)Molar Refractivity: 73.31 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 29.06x10^-24cm³; (17)Surface Tension: 114.8 dyne/cm; (18)Density: 1.799 g/cm³; (19)Flash Point: 249.3 °C; (20)Enthalpy of Vaporization: 98.67 kJ/mol; (21)Boiling Point: 645.5 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-17 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(O/C(=C1/O)c2ccc(O)cc2O)cc(O)cc3O
(2)InChI: InChI=1/C15H10O7/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
(3)InChIKey: YXOLAZRVSSWPPT-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C15H10O7/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
(5)Std. InChIKey: YXOLAZRVSSWPPT-UHFFFAOYSA-N