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3-(Hydroxymethyl)-2-pyridinecarbonitrile

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Name

3-(Hydroxymethyl)-2-pyridinecarbonitrile

EINECS N/A
CAS No. 131747-56-3 Density 1.25 g/cm3
PSA 56.91000 LogP 0.44558
Solubility N/A Melting Point N/A
Formula C7H6N2O Boiling Point 328.664 °C at 760 mmHg
Molecular Weight 134.137 Flash Point 152.571 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131747-56-3 (3-(Hydroxymethyl)-2-pyridinecarbonitrile) Hazard Symbols N/A
Synonyms

2-Pyridinecarbonitrile,3-(hydroxymethyl)- (9CI);

Article Data 4

3-(Hydroxymethyl)-2-pyridinecarbonitrile Specification

The 3-(Hydroxymethyl)-2-pyridinecarbonitrile, with the CAS registry number 131747-56-3, is also known as 2-Pyridinecarbonitrile, 3-(hydroxymethyl)- (9CI). It belongs to the product category of Pyridine. This chemical's molecular formula is C7H6N2O and molecular weight is 134.14. What's more, its systematic name is 3-(Hydroxymethyl)pyridine-2-carbonitrile.

Physical properties about 3-(Hydroxymethyl)-2-pyridinecarbonitrile are: (1)ACD/LogP: 0.40; (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): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10; (8)ACD/KOC (pH 7.4): 10; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 56.91 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 35.279 cm3; (15)Molar Volume: 106.708 cm3; (16)Polarizability: 13.986×10-24 cm3; (17)Surface Tension: 65.758 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 152.571 °C; (20)Enthalpy of Vaporization: 60.282 kJ/mol; (21)Boiling Point: 328.664 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ncccc1CO
(2) InChI: InChI=1/C7H6N2O/c8-4-7-6(5-10)2-1-3-9-7/h1-3,10H,5H2
(3) InChIKey: HPSFXGJWKADMPK-UHFFFAOYAS

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