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35283-08-0

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Basic Information
CAS No.: 35283-08-0
Name: (4-NITRO-PHENYL)-PROPYNOIC ACID ETHYL ESTER
Article Data: 16
Molecular Structure:
Molecular Structure of 35283-08-0 ((4-NITRO-PHENYL)-PROPYNOIC ACID ETHYL ESTER)
Formula: C11H9NO4
Molecular Weight: 219.197
Synonyms: (4-Nitro-phenyl)-propynoic acid ethyl ester;
Density: 1.28 g/cm3
Melting Point: 124-126 °C
Boiling Point: 350.2 °C at 760 mmHg
Flash Point: 159.4 °C
PSA: 72.12000
LogP: 2.03260
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Specification

The Ethyl 3-(4-nitrophenyl)prop-2-ynoate, with the CAS registry number 35283-08-0, is also known as (4-Nitro-phenyl)-propynoic acid ethyl ester. This chemical's molecular formula is C11H9NO4 and molecular weight is 219.19. What's more, its IUPAC name is Ethyl 3-(4-nitrophenyl)prop-2-ynoate.

Physical properties about Ethyl 3-(4-nitrophenyl)prop-2-ynoate are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 72.12 Å2; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 55.8 cm3; (9)Molar Volume: 170.7 cm3; (10)Polarizability: 22.12×10-24 cm3; (11)Surface Tension: 54.4 dyne/cm; (12)Density: 1.28 g/cm3; (13)Flash Point: 159.4 °C; (14)Enthalpy of Vaporization: 59.47 kJ/mol; (15)Boiling Point: 350.2 °C at 760 mmHg; (16)Vapour Pressure: 4.48E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(C#CC(=O)OCC)cc1
(2) InChI: InChI=1/C11H9NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7H,2H2,1H3
(3) InChIKey: VOFGHYIUFUAZQO-UHFFFAOYAY