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CAS No.: | 78238-13-8 |
---|---|
Name: | ethyl 3-methoxy-5-nitrobenzoate |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H9NO5 |
Molecular Weight: | 211.174 |
Synonyms: | 3-Methoxy-5-nitrobenzoicacid methyl ester;Methyl 3-methoxy-5-nitrobenzoate; |
Density: | 1.294 g/cm3 |
Melting Point: | 88-90 °C |
Boiling Point: | 342.9 °C at 760 mmHg |
Flash Point: | 163.2 °C |
PSA: | 81.35000 |
LogP: | 1.91320 |
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The Benzoic acid,3-methoxy-5-nitro-, methyl ester, with the CAS registry number 78238-13-8, is also known as 3-Methoxy-5-nitrobenzoicacid methyl ester. This chemical's molecular formula is C9H9NO5 and molecular weight is 211.17. What's more, its systematic name is Methyl 3-methoxy-5-nitrobenzoate.
Physical properties of Benzoic acid,3-methoxy-5-nitro-, methyl ester are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 81.35 Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 51.25 cm3; (9)Molar Volume: 163.1 cm3; (10)Polarizability: 20.31×10-24 cm3; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.294 g/cm3; (13)Flash Point: 163.2 °C; (14)Enthalpy of Vaporization: 58.67 kJ/mol; (15)Boiling Point: 342.9 °C at 760 mmHg; (16)Vapour Pressure: 7.28E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc(OC)c1)C(=O)OC
(2)InChI: InChI=1S/C9H9NO5/c1-14-8-4-6(9(11)15-2)3-7(5-8)10(12)13/h3-5H,1-2H3
(3)InChIKey: OSTVXCVLGHROLX-UHFFFAOYSA-N