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25635-12-5

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Basic Information
CAS No.: 25635-12-5
Name: allyl nicotinate
Molecular Structure:
Molecular Structure of 25635-12-5 (allyl nicotinate)
Formula: C9H9NO2
Molecular Weight: 163.176
Synonyms: Nicotinic acid, allyl ester;
EINECS: 247-141-6
Density: 1.097 g/cm3
Boiling Point: 253.2 °C at 760 mmHg
Flash Point: 106.9 °C
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    25635-12-5

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

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  • Allylnicotinate

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    25635-12-5

    Allylnicotinate

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    Best quality with low price Storage:ln stock Package:25kg/Barrel Application:Chemicals Transportation:Express/Sea/Air Port:Shanghai

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  • FT-0758767

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    FT-0758767

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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