CAS No.3371-27-5,(-)-Gallocatechin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3371-27-5
Name:	(-)-Gallocatechin
Article Data:	27

Formula:	C₁₅H₁₄O₇
Molecular Weight:	306.272
Synonyms:	Gallocatechol, (-)-(8CI);Gallocatechin;l-Gallocatechin;(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;
Density:	1.696 g/cm³
Melting Point:	200℃
Boiling Point:	685.63 °C at 760 mmHg
Flash Point:	368.456 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	130.61000
LogP:	1.25170

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Specification

The CAS register number of 2H-1-Benzopyran-3,5,7-triol,3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3R)- is 3371-27-5. It also can be called as Gallocatechin and the systematic name about this chemical is (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol. The molecular formula about this chemical is C₁₅H₁₄O₇ and the molecular weight is 306.27. It belongs to the following product categories which include Miscellaneous Natural Products; Catechins & Tannins and so on.

Physical properties about 2H-1-Benzopyran-3,5,7-triol,3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2S,3R)- are: (1)ACD/LogP: -0.77; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 21; (6)ACD/KOC (pH 7.4): 20; (7)#H bond acceptors: 7; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 130.61 Å²; (11)Index of Refraction: 1.776; (12)Molar Refractivity: 75.475 cm³; (13)Molar Volume: 180.626 cm³; (14)Polarizability: 29.921x10^-24cm³; (15)Surface Tension: 101.463 dyne/cm; (16)Density: 1.696 g/cm³; (17)Flash Point: 368.456 °C; (18)Enthalpy of Vaporization: 105.599 kJ/mol; (19)Boiling Point: 685.63 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cc(O)c1O)[C@@H]3Oc2cc(O)cc(O)c2C[C@H]3O
(2)InChI: InChI=1/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
(3)InChIKey: XMOCLSLCDHWDHP-DOMZBBRYBH
(4)Std. InChI: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
(5)Std. InChIKey: XMOCLSLCDHWDHP-DOMZBBRYSA-N