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166766-77-4

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Basic Information
CAS No.: 166766-77-4
Name: 2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER
Article Data: 8
Molecular Structure:
Molecular Structure of 166766-77-4 (2-CARBAMOYL-ISONICOTINIC ACID ETHYL ESTER)
Formula: C9H10N2O3
Molecular Weight: 194.1873
Synonyms: 2-Carbamoyl-isonicotinic acid ethyl ester;
Density: 1.247 g/cm3
Boiling Point: 352.125 °C at 760 mmHg
Flash Point: 166.76 °C
PSA: 82.28000
LogP: 1.05750
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    CASNumber: 166766-77-4 Formula: C9H10N2O3 MW: 194.19 Purity: 97+%

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Specification

The Ethyl 2-(aminocarbonyl)isonicotinate, with the CAS registry number 166766-77-4, is also known as 2-Carbamoyl-isonicotinic acid ethyl ester. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.1873. What's more, its systematic name is Ethyl 2-carbamoylpyridine-4-carboxylate.

Physical properties about Ethyl 2-(aminocarbonyl)isonicotinate are: (1)ACD/LogP: 0.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 82.28 Å2; (7)Index of Refraction: 1.551; (8)Molar Refractivity: 49.681 cm3; (9)Molar Volume: 155.758 cm3; (10)Polarizability: 19.695×10-24 cm3; (11)Surface Tension: 53.114 dyne/cm; (12)Density: 1.247 g/cm3; (13)Flash Point: 166.76 °C; (14)Enthalpy of Vaporization: 59.691 kJ/mol; (15)Boiling Point: 352.125 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nccc(C(=O)OCC)c1)N
(2) InChI: InChI=1/C9H10N2O3/c1-2-14-9(13)6-3-4-11-7(5-6)8(10)12/h3-5H,2H2,1H3,(H2,10,12)
(3) InChIKey: QKJXZPAWGHKWCU-UHFFFAOYAC