CAS No.24489-96-1,2-PROPENOIC ACID, 3-(4-PYRIDINYL)-, ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24489-96-1
Name:	2-PROPENOIC ACID, 3-(4-PYRIDINYL)-, ETHYL ESTER
Article Data:	9

Formula:	C₁₀H₁₁NO₂
Molecular Weight:	177.203
Synonyms:	Ethyl (2E)-3-(pyridin-4-yl)prop-2-enoate;
Density:	1.107 g/cm³
Melting Point:	67-69 °C(Solv: ligroine (8032-32-4))
Boiling Point:	292.583 °C at 760 mmHg
Flash Point:	130.75 °C
PSA:	39.19000
LogP:	1.65790

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Specification

The 3-Pyridin-4-yl-acrylic acid ethyl ester, with the CAS registry number 24489-96-1, is also known as Ethyl (2E)-3-(pyridin-4-yl)prop-2-enoate. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.2. What's more, its IUPAC name is Ethyl (E)-3-pyridin-4-ylprop-2-enoate.

Physical properties about 3-Pyridin-4-yl-acrylic acid ethyl ester are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 76; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 51.274 cm³; (15)Molar Volume: 160.128 cm³; (16)Polarizability: 20.327×10^-24 cm³; (17)Surface Tension: 42.429 dyne/cm; (18)Density: 1.107 g/cm³; (19)Flash Point: 130.75 °C; (20)Enthalpy of Vaporization: 53.21 kJ/mol; (21)Boiling Point: 292.583 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)\C=C\c1ccncc1
(2) InChI: InChI=1/C10H11NO2/c1-2-13-10(12)4-3-9-5-7-11-8-6-9/h3-8H,2H2,1H3/b4-3+
(3) InChIKey: ABZPCWYIRGIXJP-ONEGZZNKBL