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100905-32-6

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Basic Information
CAS No.: 100905-32-6
Name: Phenyl4,5-dimethoxy-2-nitrobenzoate
Molecular Structure:
Molecular Structure of 100905-32-6 (Phenyl4,5-dimethoxy-2-nitrobenzoate)
Formula: C15H13NO6
Molecular Weight: 303.271
Synonyms: 5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-meth
Density: 1.303 g/cm3
Boiling Point: 487.234 °C at 760 mmHg
Flash Point: 215.312 °C
Appearance: white to off-white powder
PSA: 90.58000
LogP: 3.35440
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Specification

The phenyl 4,5-dimethoxy-2-nitrobenzoate is an organic compound with the formula C15H13NO6. The systematic name of this chemical is phenyl 4,5-dimethoxy-2-nitrobenzoate. With the CAS registry number 100905-32-6, it is also named as benzoic acid, 4,5-dimethoxy-2-nitro-, phenyl ester.

Physical properties about phenyl 4,5-dimethoxy-2-nitrobenzoate are: (1)ACD/LogP: 3.18; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 90.58 Å2; (5)Index of Refraction: 1.583; (6)Molar Refractivity: 77.8 cm3; (7)Molar Volume: 232.697 cm3; (8)Polarizability: 30.842×10-24cm3; (9)Surface Tension: 48.316 dyne/cm; (10)Density: 1.303 g/cm3; (11)Flash Point: 215.312 °C; (12)Enthalpy of Vaporization: 75.31 kJ/mol; (13)Boiling Point: 487.234 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1C(=O)Oc2ccccc2
(2)InChI: InChI=1/C15H13NO6/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)22-10-6-4-3-5-7-10/h3-9H,1-2H3
(3)InChIKey: TZYWYUNYWPSVFQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H13NO6/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)22-10-6-4-3-5-7-10/h3-9H,1-2H3
(5)Std. InChIKey: TZYWYUNYWPSVFQ-UHFFFAOYSA-N