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CAS No.: | 6294-74-2 |
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Name: | 1-(2-phenylhydrazinyl)hexose |
Molecular Structure: | |
Formula: | C12H18N2O6 |
Molecular Weight: | 286.285 |
Synonyms: | NSC9628;1-(2-Phenylhydrazino)-D-glucose;D-Gluconic acid, 2-phenylhydrazide;Mannonic acid, 2-phenylhydrazide, D- (8CI); |
Density: | 1.535 g/cm3 |
Boiling Point: | 594.4 °C at 760 mmHg |
Flash Point: | 313.3 °C |
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The Mannonicacid, 2-phenylhydrazide, D-, with the CAS registry number 6294-74-2, is also known as D-Gluconic acid, 2-phenylhydrazide. This chemical's molecular formula is C12H18N2O6 and molecular weight is 286.28. What's more, its systematic name is 1-(2-phenylhydrazino)-D-glucose.
Physical properties of Mannonicacid, 2-phenylhydrazide, D- are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 3.6; (5)ACD/KOC (pH 7.4): 3.6; (6)#H bond acceptors: 8; (7)#H bond donors: 7; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 142.28 Å2; (10)Index of Refraction: 1.676; (11)Molar Refractivity: 70.16 cm3; (12)Molar Volume: 186.3 cm3; (13)Polarizability: 27.81×10-24cm3; (14)Surface Tension: 88.2 dyne/cm; (15)Density: 1.535 g/cm3; (16)Flash Point: 313.3 °C; (17)Enthalpy of Vaporization: 93.18 kJ/mol; (18)Boiling Point: 594.4 °C at 760 mmHg; (19)Vapour Pressure: 5.63E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NNc1ccccc1
(2)InChI: InChI=1S/C12H18N2O6/c15-6-8(16)9(17)10(18)11(19)12(20)14-13-7-4-2-1-3-5-7/h1-5,8-11,13,15-19H,6H2,(H,14,20)/t8-,9-,10+,11-/m1/s1
(3)InChIKey: BOJPTTLENHUOHV-CHWFTXMASA-N