CAS No.1003-52-7,4-METHYL-1,3-OXAZOLE-5-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1003-52-7
Name:	4-METHYL-1,3-OXAZOLE-5-CARBONITRILE

Formula:	C₅H₄N₂O
Molecular Weight:	108.1
Synonyms:	4-Methyl-5-cyanooxazole;4-Methyl-5-oxazolecarbonitrile;5-Cyano-4-methyloxazole;
EINECS:	213-709-7
Density:	1.18 g/cm³
Boiling Point:	200.3 °C at 760 mmHg
Flash Point:	75 °C
PSA:	49.82000
LogP:	0.85468

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Specification

The 5-Oxazolecarbonitrile,4-methyl- is an organic compound with the formula C₅H₄N₂O. The IUPAC name of this chemical is 4-methyl-1,3-oxazole-5-carbonitrile. With the CAS registry number 1003-52-7, it is also named as Oxazole-5-carbonitrile, 4-methyl-.

Physical properties about 5-Oxazolecarbonitrile,4-methyl- are: (1)ACD/LogP: 0.02; (2)ACD/LogD (pH 5.5): 0.02; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 24.33; (7)ACD/KOC (pH 7.4): 24.33; (8)#H bond acceptors: 3; (9)Polar Surface Area: 49.82 Å²; (10)Index of Refraction: 1.488; (11)Molar Refractivity: 26.22 cm³; (12)Molar Volume: 91 cm³; (13)Polarizability: 10.39×10^-24cm³; (14)Surface Tension: 50 dyne/cm; (15)Density: 1.18 g/cm³; (16)Flash Point: 75 °C; (17)Enthalpy of Vaporization: 43.65 kJ/mol; (18)Boiling Point: 200.3 °C at 760 mmHg; (19)Vapour Pressure: 0.326 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ocnc1C
(2)InChI: InChI=1/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
(3)InChIKey: JZSLPQXOLZCAME-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H4N2O/c1-4-5(2-6)8-3-7-4/h3H,1H3
(5)Std. InChIKey: JZSLPQXOLZCAME-UHFFFAOYSA-N