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52571-71-8

Basic Information
CAS No.: 52571-71-8
Name: 3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 52571-71-8 (3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSIDE)
Formula: C12H15NO8
Molecular Weight: 301.253
Synonyms: 3-Nitrophenyla-D-galactopyranoside;m-Nitrophenyl a-D-galactopyranoside;m-Nitrophenyl-a-D-galactoside;
EINECS: 637-061-3
Density: 1.599±0.06 g/cm3 (20oC 760 Torr)
Melting Point: 165 - 168 °C
Boiling Point: 573.5 °C at 760 mmHg
Flash Point: 300.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 145.20000
LogP: -0.70330
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Specification

The α-D-Galactopyranoside,3-nitrophenyl, with the CAS registry number 52571-71-8, is also known 3-Nitrophenyl-alpha-D-galactopyranoside. This chemical's molecular formula is C12H15NO8 and molecular weight is 301.2494. What's more, its systematic name is 3-Nitrophenyl α-D-galactopyranoside. Besides, As a chemical, it may cause inflammation to the skin or other mucous membranes. In addition, this chemical irritates to eyes. During using it, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice..

Physical properties about a-D-Galactopyranoside,3-nitrophenyl are: (1)ACD/LogP: -0.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 101.2 Å2; (7)Index of Refraction: 1.647; (8)Molar Refractivity: 68.5 cm3; (9)Molar Volume: 188.3 cm3; (10)Polarizability: 27.15×10-24cm3; (11)Surface Tension: 74.1 dyne/cm; (12)Density: 1.599 g/cm3; (13)Flash Point: 300.6 °C; (14)Enthalpy of Vaporization: 90.41 kJ/mol; (15)Boiling Point: 573.5 °C at 760 mmHg; (16)Vapour Pressure: 5.41E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2cc(O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)ccc2
(2) InChI: InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
(3) InChIKey: VCCMGHVCRFMITI-IIRVCBMXBO