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83356-02-9

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Basic Information
CAS No.: 83356-02-9
Name: 2,4,6-TRIMETHOXY-5-NITROPYRIMIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 83356-02-9 (2,4,6-TRIMETHOXY-5-NITROPYRIMIDINE)
Formula: C7H9N3O5
Molecular Weight: 215.16
Synonyms: 2,4,6-Trimethoxy-5-nitropyrimidine;
Density: 1.347 g/cm3
Boiling Point: 407.959 °C at 760 mmHg
Flash Point: 200.527 °C
PSA: 99.29000
LogP: 0.93380
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Specification

The Pyrimidine, 2, 4, 6-trimethoxy-5-nitro- has CAS registry number 83356-02-9. This chemical's molecular formula is C7H9N3O5 and molecular weight is 215.16. What's more, its systematic name is 2, 4, 6-Trimethoxy-5-nitropyrimidine.

Physical properties about Pyrimidine, 2, 4, 6-trimethoxy-5-nitro- are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 99.29 Å2; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 49.016 cm3; (9)Molar Volume: 159.729 cm3; (10)Polarizability: 19.432×10-24 cm3; (11)Surface Tension: 48.288 dyne/cm; (12)Density: 1.347 g/cm3; (13)Flash Point: 200.527 °C; (14)Enthalpy of Vaporization: 63.425 kJ/mol; (15)Boiling Point: 407.959 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1nc(OC)c(c(OC)n1)[N+]([O-])=O
(2) InChI: InChI=1/C7H9N3O5/c1-13-5-4(10(11)12)6(14-2)9-7(8-5)15-3/h1-3H3
(3) InChIKey: XAKMRDXCQFULLE-UHFFFAOYAG