CAS No.31518-13-5,5,6-DIHYDRO-4H-PYRAN-2-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31518-13-5
Name:	5,6-DIHYDRO-4H-PYRAN-2-CARBONITRILE
Article Data:	4

Formula:	C₆H₇NO
Molecular Weight:	109.128
Synonyms:	2-Cyano-4,5-dihydropyran;2-Cyano-5,6-dihydro-4H-pyran;6-Cyano-2,3-dihydropyran;3,4-dihydro-2H-pyran-6-carbonitrile;2H-Pyran-6-carbonitrile, 3,4-dihydro-;3,4-dihydro-2H-pyran-6-carbonitrile;5,6-Dihydro-4H-pyran-2-carbonitrile;
Density:	1.06 g/cm³
Boiling Point:	195.2 °C at 760 mmHg
Flash Point:	78.5 °C
PSA:	33.02000
LogP:	1.20428

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Specification

The 2H-Pyran-6-carbonitrile,3,4-dihydro-, with the CAS registry number 31518-13-5, has the systematic name and IUPAC name of 3,4-dihydro-2H-pyran-6-carbonitrile. It belongs to the following product categories: Boron, Nitrile, Thio,& TM-Cpds; Heterocycles; Pharmacetical. And the molecular formula of the chemical is C₆H₇NO.

The characteristics of 2H-Pyran-6-carbonitrile,3,4-dihydro- are as followings: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.14; (7)ACD/KOC (pH 5.5): 38.33; (8)ACD/KOC (pH 7.4): 38.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 29.14 cm³; (15)Molar Volume: 102.3 cm³; (16)Polarizability: 11.55×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.06 g/cm³; (19)Flash Point: 78.5 °C; (20)Enthalpy of Vaporization: 43.14 kJ/mol; (21)Boiling Point: 195.2 °C at 760 mmHg; (22)Vapour Pressure: 0.425 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#C\C1=C\CCCO1
(2)InChI: InChI=1/C6H7NO/c7-5-6-3-1-2-4-8-6/h3H,1-2,4H2
(3)InChIKey: DPQCEBXGFGVSAB-UHFFFAOYAO