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84041-65-6

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Basic Information
CAS No.: 84041-65-6
Name: 1-(2-nitrophenyl)ethyl acrylate
Molecular Structure:
Molecular Structure of 84041-65-6 (1-(2-nitrophenyl)ethyl acrylate)
Formula: C11H11NO4
Molecular Weight: 221.21
Synonyms: a-Methyl-o-nitrobenzyl acrylate;1-(2-Nitrophenyl)ethyl acrylate;1-(2-Nitrophenyl)ethyl prop-2-enoate;Propenoic acid 1-(2-nitrophenyl)ethyl ester;
EINECS: 281-845-4
Density: 1.209 g/cm3
Boiling Point: 336.1 °C at 760 mmHg
Flash Point: 147.4 °C
PSA: 72.12000
LogP: 2.90820
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Specification

The 2-Propenoic acid,1-(2-nitrophenyl)ethyl ester, with the CAS registry number 84041-65-6, is also known as 1-(2-Nitrophenyl)ethyl acrylate. Its EINECS number is 281-845-4. This chemical's molecular formula is C11H11NO4 and molecular weight is 221.21. What's more, its systematic name is 1-(2-Nitrophenyl)ethyl prop-2-enoate. 

Physical properties of 2-Propenoic acid,1-(2-nitrophenyl)ethyl ester are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.81; (6)ACD/BCF (pH 7.4): 35.81; (7)ACD/KOC (pH 5.5): 450.74; (8)ACD/KOC (pH 7.4): 450.74; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 57.74 cm3; (15)Molar Volume: 182.9 cm3; (16)Polarizability: 22.89×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 147.4 °C; (20)Enthalpy of Vaporization: 57.92 kJ/mol; (21)Boiling Point: 336.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000115 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)C=C
(2)InChI: InChI=1S/C11H11NO4/c1-3-11(13)16-8(2)9-6-4-5-7-10(9)12(14)15/h3-8H,1H2,2H3
(3)InChIKey: RNYPOUOIGJXNMU-UHFFFAOYSA-N