CAS No.25263-44-9,M-HYDROXY BENZYL CYANIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25263-44-9
Name:	M-HYDROXY BENZYL CYANIDE
Article Data:	8

Formula:	C₈H₇NO
Molecular Weight:	133.15
Synonyms:	Acetonitrile, (m-hydroxyphenyl)-(8CI);(3-Hydroxyphenyl)acetonitrile;3-(Cyanomethyl)phenol;
Density:	1.167 g/cm³
Melting Point:	305.5 °C at 760 mmHg
Boiling Point:	305.5°C at 760 mmHg
Flash Point:	138.6 °C
PSA:	44.02000
LogP:	1.45828

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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