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30677-14-6

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Basic Information
CAS No.: 30677-14-6
Name: β-D-Galactoside, 2-nitrophenyl(9CI)
Molecular Structure:
Molecular Structure of 30677-14-6 (β-D-Galactoside, 2-nitrophenyl(9CI))
Formula: C12H15NO8
Molecular Weight: 301.2494
Synonyms: Galactoside,o-nitrophenyl, b-D-(8CI);o-Nitrophenyl b-D-galactoside;2-nitrophenyl hexopyranoside;2-(hydroxymethyl)-6-(2-nitrophenoxy)tetrahydro-2H-pyran-3,4,5-triol;hexopyranoside, 2-nitrophenyl;
EINECS: 250-286-8
Density: 1.599 g/cm3
Boiling Point: 572.4 °C at 760 mmHg
Flash Point: 300 °C
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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    2-NITROPHENYL SS-D-GALACTOSIDE

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Specification

The β-D-Galactoside, 2-nitrophenyl(9CI), with the CAS registry number 30677-14-6 and EINECS registry number 250-286-8, has the systematic name of 2-nitrophenyl hexopyranoside. And the molecular formula of the chemical is C12H15NO8.

The characteristics of β-D-Galactoside, 2-nitrophenyl(9CI) are as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 8.97; (6)ACD/KOC (pH 7.4): 8.97; (7)#H bond acceptors: 9; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 101.2 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 68.5 cm3; (13)Molar Volume: 188.3 cm3; (14)Polarizability: 27.15×10-24cm3; (15)Surface Tension: 74.1 dyne/cm; (16)Density: 1.599 g/cm3; (17)Flash Point: 300 °C; (18)Enthalpy of Vaporization: 90.27 kJ/mol; (19)Boiling Point: 572.4 °C at 760 mmHg; (20)Vapour Pressure: 6.1E-14 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)CO)cccc2
(2)InChI: InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2
(3)InChIKey: KUWPCJHYPSUOFW-UHFFFAOYAE