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Benzeneacetonitrile, 3-hydroxy-

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Name

Benzeneacetonitrile, 3-hydroxy-

EINECS N/A
CAS No. 25263-44-9 Density 1.167 g/cm3
PSA 44.02000 LogP 1.45828
Solubility N/A Melting Point 305.5 °C at 760 mmHg
Formula C8H7NO Boiling Point 305.5°C at 760 mmHg
Molecular Weight 133.15 Flash Point 138.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 25263-44-9 (M-HYDROXY BENZYL CYANIDE) Hazard Symbols N/A
Synonyms

Acetonitrile, (m-hydroxyphenyl)-(8CI);(3-Hydroxyphenyl)acetonitrile;3-(Cyanomethyl)phenol;

Article Data 8

Benzeneacetonitrile, 3-hydroxy- Specification

The Benzeneacetonitrile, 3-hydroxy-, with the CAS registry number 25263-44-9, is also known as and M-Hydroxy benzyl cyanide. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C8H7NO and molecular weight is 133.15. What's more, its systematic name is (3-Hydroxyphenyl)acetonitrile.

Physical properties about  Benzeneacetonitrile, 3-hydroxy are: (1)ACD/LogP: 0.71; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.05; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 58.16; (8)ACD/KOC (pH 7.4): 57.72; (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: 37.59 cm3; (15)Molar Volume: 114 cm3; (16)Polarizability: 14.9×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.167 g/cm3; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 56.78 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000452 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1cc(CC#N)ccc1
(2) InChI: InChI=1/C8H7NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4H2
(3) InChIKey: IEOUEWOHAFNQCO-UHFFFAOYAK

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