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CAS No.: | 1123787-67-6 |
---|---|
Name: | 2-(Oxetan-3-ylidene)acetonitrile |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C5H5NO |
Molecular Weight: | 95.0993 |
Synonyms: | 2-(Oxetan-3-ylidene)acetonitrile; |
Density: | 1.309 g/cm3 |
Melting Point: | 56-58℃ |
Boiling Point: | 216 °C at 760 mmHg |
Flash Point: | 88.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 33.02000 |
LogP: | 0.46658 |
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The (Oxetan-3-ylidene)acetonitrile has CAS registry number 1123787-67-6. This chemical's molecular formula is C5H5NO and molecular weight is 95.0993. What's more, its systematic name is 2-(Oxetan-3-ylidene)acetonitrile.
Physical properties about (Oxetan-3-ylidene)acetonitrile are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.51; (5)ACD/KOC (pH 7.4): 13.51; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 33.02 Å2; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 26.23 cm3; (12)Molar Volume: 72.6 cm3; (13)Polarizability: 10.4×10-24 cm3; (14)Surface Tension: 75.7 dyne/cm; (15)Density: 1.309 g/cm3; (16)Flash Point: 88.4 °C; (17)Enthalpy of Vaporization: 45.24 kJ/mol; (18)Boiling Point: 216 °C at 760 mmHg; (19)Vapour Pressure: 0.143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C1C(=CC#N)CO1
(2) InChI: InChI=1/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
(3) InChIKey: DSKHBLMKLTZNRU-UHFFFAOYAA