CAS No.39900-63-5,2-Hydroxy-5-methoxybenzonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39900-63-5
Name:	2-Hydroxy-5-methoxybenzonitrile
Article Data:	13

Formula:	C₈H₇NO₂
Molecular Weight:	149.149
Synonyms:	2-Hydroxy-5-methoxybenzonitrile;2-hydroxy-5-methoxybenzenecarbonitrile;
Density:	1.24 g/cm³
Boiling Point:	298.2 °C at 760 mmHg
Flash Point:	134.1 °C
PSA:	53.25000
LogP:	1.27248

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Specification

The CAS register number of Benzonitrile,2-hydroxy-5-methoxy- is 39900-63-5. It also can be called as 2-hydroxy-5-methoxybenzenecarbonitrile and the IUPAC name about this chemical is 2-hydroxy-5-methoxybenzonitrile. The molecular formula about this chemical is C₈H₇NO₂ and the molecular weight is 149.15.

Physical properties about Benzonitrile,2-hydroxy-5-methoxy- are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 5.85; (5)ACD/BCF (pH 7.4): 3.79; (6)ACD/KOC (pH 5.5): 123.02; (7)ACD/KOC (pH 7.4): 79.6; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 42.25Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 39.21 cm³; (14)Molar Volume: 119.7 cm³; (15)Polarizability: 15.54x10^-24cm³; (16)Surface Tension: 55.4 dyne/cm; (17)Flash Point: 134.1 °C; (18)Enthalpy of Vaporization: 55.96 kJ/mol; (19)Boiling Point: 298.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000726 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(OC)ccc1O
(2)InChI: InChI=1/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
(3)InChIKey: ZFKRGDMEHBTPFN-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7NO2/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,10H,1H3
(5)Std. InChIKey: ZFKRGDMEHBTPFN-UHFFFAOYSA-N