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CAS No.: | 4756-30-3 |
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Name: | 4'-CHLOROPHENYL-BETA-D-GLUCOPYRANOSIDE |
Article Data: | 7 |
Molecular Structure: | |
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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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