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4756-30-3

Basic Information
CAS No.: 4756-30-3
Name: 4'-CHLOROPHENYL-BETA-D-GLUCOPYRANOSIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 4756-30-3 (4'-CHLOROPHENYL-BETA-D-GLUCOPYRANOSIDE)
Formula: C12H15ClO6
Molecular Weight: 290.701
Synonyms: p-Chlorophenyl b-D-glucopyranoside;p-Chlorophenyl b-D-glucoside;Glucopyranoside,p-chlorophenyl, b-D-(6CI,8CI);4-Chlorophenyl b-D-glucopyranoside;
Density: 1.542 g/cm3
Melting Point: 179-180oC
Boiling Point: 510.4 °C at 760 mmHg
Flash Point: 262.5 °C
PSA: 99.38000
LogP: -0.48130
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    Molecular Formula:C12H15CLO6 Molecular Weight:290.7 Pharmaceutical IntermediatesAppearance:white or almost crystalline powder

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Specification

The b-D-Glucopyranoside,4-chlorophenyl, with the CAS registry number 4756-30-3, is also known as p-Chlorophenyl b-D-glucopyranoside and 4-Chlorophenyl b-D-glucopyranoside. This chemical's molecular formula is C12H15ClO6 and molecular weight is 290.6969. What's more, its systematic name is 4-Chlorophenyl hexopyranoside. 

Physical properties about the b-D-Glucopyranoside,4-chlorophenyl are: (1) ACD/LogP: 0.26; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 6; (4) #H bond donors: 4; (5) #Freely Rotating Bonds: 7; (6) Polar Surface Area: 55.38 Å2; (7) Index of Refraction: 1.627; (8) Molar Refractivity: 66.85 cm3; (9) Molar Volume: 188.4 cm3; (10) Polarizability: 26.5×10-24 cm3; (11) Surface Tension: 63.9 dyne/cm; (12) Density: 1.542 g/cm3; (13) Flash Point: 262.5 °C; (14) Enthalpy of Vaporization: 82.25 kJ/mol; (15) Boiling Point: 510.4 °C at 760 mmHg; (16) Vapour Pressure: 3.05E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(OC1OC(C(O)C(O)C1O)CO)cc2
(2) InChI: InChI=1/C12H15ClO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5H2
(3) InChIKey: VTNZLQTUEWINQW-UHFFFAOYAW