3-Pyridinecarboxylicacid, 2-propen-1-yl ester supplier

Name
allyl nicotinate
EINECS 247-141-6
CAS No. 25635-12-5
Density 1.097 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₂
Boiling Point 253.2 °C at 760 mmHg
Molecular Weight 163.176
Flash Point 106.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinic acid, allyl ester;
PSA
LogP

3-Pyridinecarboxylicacid, 2-propen-1-yl ester Specification

The 3-Pyridinecarboxylicacid, 2-propen-1-yl ester, with the CAS registry number 25635-12-5, is also known as Nicotinic acid, allyl ester. Its EINECS registry number is 247-141-6. This chemical's molecular formula is C₉H₉NO₂ and molecular weight is 163.1733. What's more, its systematic name is called Prop-2-en-1-yl pyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylicacid, 2-propen-1-yl ester are: (1)ACD/LogP: 1.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.68; (6)ACD/BCF (pH 7.4): 11.73; (7)ACD/KOC (pH 5.5): 201.84; (8)ACD/KOC (pH 7.4): 202.78; (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: 1.518; (14)Molar Refractivity: 45.1 cm³; (15)Molar Volume: 148.6 cm³; (16)Polarizability: 17.88×10^-24 cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.097 g/cm³; (19)Flash Point: 106.9 °C; (20)Enthalpy of Vaporization: 49.06 kJ/mol; (21)Boiling Point: 253.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0185 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)c1cccnc1
(2) InChI: InChI=1/C9H9NO2/c1-2-6-12-9(11)8-4-3-5-10-7-8/h2-5,7H,1,6H2
(3) InChIKey: SJUZMXLTUGZSSQ-UHFFFAOYAZ

Product Name

allyl nicotinate

3-Pyridinecarboxylicacid, 2-propen-1-yl ester Specification

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