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13287-64-4

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Basic Information
CAS No.: 13287-64-4
Name: (6-Methylpyridin-2-yl)methyl acetate
Article Data: 1
Molecular Structure:
Molecular Structure of 13287-64-4 ((6-Methylpyridin-2-yl)methyl acetate)
Formula: C9H11NO2
Molecular Weight: 165.192
Synonyms: 2-Pyridinemethanol,6-methyl-, acetate (7CI);2-Pyridinemethanol, 6-methyl-, acetate (ester)(8CI,9CI);2-Acetoxymethyl-6-methylpyridine;6-Methyl-2-pyridylmethyl acetate;NSC 155723;
Density: 1.088 g/cm3
Boiling Point: 221.7 °C at 760 mmHg
Flash Point: 87.9 °C
PSA: 39.19000
LogP: 1.45310
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Specification

This chemical is called (6-Methylpyridin-2-yl)methyl acetate, and it can also be named as 2-pyridinemethanol, 6-methyl-, acetate (ester). With the CAS registry number of 13287-64-4, its molecular formula is C9H11NO2. In addition, the molecular weight of this chemical is 165.19.
 
Other characteristics of the (6-Methylpyridin-2-yl)methyl acetate can be summarised as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.506; (8) Molar Refractivity: 45.12 cm3; (9)Molar Volume: 151.7 cm3; (10)Polarizability: 17.88×10-24cm3; (11)Surface Tension: 39.4 dyne/cm; (12)Density: 1.088 g/cm3; (13)Flash Point: 87.9 °C; (14)Enthalpy of Vaporization: 45.81 kJ/mol; (15)Boiling Point: 221.7 °C at 760 mmHg; (16)Vapour Pressure: 0.106 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCc1nc(ccc1)C)C
(2)InChI: InChI=1/C9H11NO2/c1-7-4-3-5-9(10-7)6-12-8(2)11/h3-5H,6H2,1-2H3
(3)InChIKey: ZRNXOHYTSIFSDP-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H11NO2/c1-7-4-3-5-9(10-7)6-12-8(2)11/h3-5H,6H2,1-2H3
(5)Std. InChIKey: ZRNXOHYTSIFSDP-UHFFFAOYSA-N