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16697-53-3
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Basic Information
CAS No.: 16697-53-3
Name: 1-{[(6-methoxy-2-phenyltetrahydropyrano[3,2-d][1,3]dioxin-8(4H)-ylidene)amino]oxy}ethanone (non-preferred name)
Molecular Structure:
Molecular Structure of 16697-53-3 (1-{[(6-methoxy-2-phenyltetrahydropyrano[3,2-d][1,3]dioxin-8(4H)-ylidene)amino]oxy}ethanone (non-preferred name))
Formula: C16H19NO6
Molecular Weight: 321.33
Synonyms: NSC298831;
Density: 1.35g/cm3
Boiling Point: 458.9 °C at 760 mmHg
Flash Point: 199.4 °C
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Specification

The D-erythro-Hexopyranosid-3-ulose,methyl 4,6-O-benzylidene-2-deoxy-, O-acetyloxime, a- (8CI), with CAS registry number 16697-53-3, has the systematic name of 1-{[(6-methoxy-2-phenyltetrahydropyrano[3,2-d][1,3]dioxin-8(4H)-ylidene)amino]oxy}ethanone. And the chemical formula of this chemical is C16H19NO6.

Physical properties of D-erythro-Hexopyranosid-3-ulose,methyl 4,6-O-benzylidene-2-deoxy-, O-acetyloxime, a- (8CI): (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 75.58 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 79.11 cm3; (9)Molar Volume: 237.3 cm3; (10)Polarizability: 31.36×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 199.4 °C; (14)Enthalpy of Vaporization: 71.93 kJ/mol; (15)Boiling Point: 458.9 °C at 760 mmHg; (16)Vapour Pressure: 1.32E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(ON=C3CC(OC1C3OC(OC1)c2ccccc2)OC)C
(2)InChI: InChI=1/C16H19NO6/c1-10(18)23-17-12-8-14(19-2)21-13-9-20-16(22-15(12)13)11-6-4-3-5-7-11/h3-7,13-16H,8-9H2,1-2H3
(3)InChIKey: BGAFCJCUJAHMLP-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H19NO6/c1-10(18)23-17-12-8-14(19-2)21-13-9-20-16(22-15(12)13)11-6-4-3-5-7-11/h3-7,13-16H,8-9H2,1-2H3
(5)Std. InChIKey: BGAFCJCUJAHMLP-UHFFFAOYSA-N