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| CAS No.: | 14714-50-2 |
|---|---|
| Name: | (2-Hydroxyphenyl)acetonitrile |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H7NO |
| Molecular Weight: | 133.15 |
| Synonyms: | (2-Hydroxyphenyl)acetonitrile |
| Density: | 1.167 g/cm3 |
| Melting Point: | 122-123℃ |
| Boiling Point: | 285.247 °C at 760 mmHg |
| Flash Point: | 126.313 °C |
| PSA: | 44.02000 |
| LogP: | 1.45828 |
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- Total:14 Page 1 of 1 1
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Specification
The (2-Hydroxyphenyl)acetonitrile, with the CAS registry number 14714-50-2, is also known as Benzeneacetonitrile, 2-hydroxy-. This chemical's molecular formula is C8H7NO and molecular weight is 133.15. What's more, its systematic name is (2-Hydroxyphenyl)acetonitrile.
Physical properties of (2-Hydroxyphenyl)acetonitrile are: (1)ACD/LogP: 0.782; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.78; (4)ACD/LogD (pH 7.4): 0.78; (5)ACD/BCF (pH 5.5): 2.31; (6)ACD/BCF (pH 7.4): 2.29; (7)ACD/KOC (pH 5.5): 63.44; (8)ACD/KOC (pH 7.4): 62.90; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.02 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 37.597 cm3; (15)Molar Volume: 114.064 cm3; (16)Polarizability: 14.905×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 126.313 °C; (20)Enthalpy of Vaporization: 54.532 kJ/mol; (21)Boiling Point: 285.247 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1ccccc1O
(2)Std. InChI: InChI=1S/C8H7NO/c9-6-5-7-3-1-2-4-8(7)10/h1-4,10H,5H2
(3)Std. InChIKey: WMWRBGOAZXDIDN-UHFFFAOYSA-N