- 5(4H)-Oxazolone
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- 5(4H)-Oxazolone,2-phenyl-4-(phenylmethyl)-
- 5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)-
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Cas Database |
| Name |
5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- |
EINECS | N/A |
| CAS No. | 842-74-0 | Density | 1.16 g/cm3 |
| PSA | 38.66000 | LogP | 2.46670 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H11NO2 | Boiling Point | 386.5 °C at 760 mmHg |
| Molecular Weight | 249.269 | Flash Point | 175.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Oxazolin-5-one,4-benzylidene-2-phenyl- (6CI,7CI,8CI);5(4H)-Oxazolone, 4-benzylidene-2-phenyl-(4CI);2-Phenyl-4-(phenylmethylene)-5(4H)-Oxazolone;2-Phenyl-4-benzylidene-5(4H)-oxazolone;2-Phenyl-4-benzylidene-5-oxazolone;4-Benzylidene-2-phenyl-2-oxazolin-5-one;4-Benzylidene-2-phenyl-4H-oxazol-5-one;4-Benzylidene-2-phenyl-5(4H)-oxazolone;4-Benzylidene-2-phenyl-5-oxazolone;NSC 291;NSC 3334; |
Article Data | 103 |
5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- Specification
The 5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)-, with the CAS registry number 842-74-0, is also known as 4-Benzylidene-2-phenyl-4,5-dihydro-1,3-oxazol-5-one. It belongs to the product category of Benzenes. This chemical's molecular formula is C16H11NO2 and molecular weight is 249.264. What's more, both its IUPAC name and systematic name are the same which is called (4Z)-4-Benzylidene-2-phenyl-1,3-oxazol-5(4H)-one.
Physical properties about 5(4H)-Oxazolone,2-phenyl-4-(phenylmethylene)- are: (1) ACD/LogP: 3.88; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 38.66 Å2; (7) Index of Refraction: 1.61; (8) Molar Refractivity: 73.93 cm3; (9) Molar Volume: 213.1 cm3; (10) Surface Tension: 45 dyne/cm; (11) Density: 1.16 g/cm3; (12) Flash Point: 175.6 °C; (13) Enthalpy of Vaporization: 63.54 kJ/mol; (14) Boiling Point: 386.5 °C at 760 mmHg; (15) Vapour Pressure: 3.54E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2O\C(=N/C2=C\c1ccccc1)c3ccccc3
(2) InChI: InChI=1/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
(3) InChIKey: VFDOKJVMHZUBTN-KAMYIIQDBT
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