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Name |
Benzenemethanol,2-(3-pyridinyl)- |
EINECS | N/A |
CAS No. | 857284-03-8 | Density | 1.145 g/cm3 |
PSA | 33.12000 | LogP | 2.24090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H11NO | Boiling Point | 377.6 °C at 760 mmHg |
Molecular Weight | 185.225 | Flash Point | 182.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
[2-(Pyridin-3-yl)phenyl]methanol; |
Article Data | 3 |
The Benzenemethanol,2-(3-pyridinyl)-, with the CAS registry number 857284-03-8, is also known as (2-Pyrid-3-ylphenyl)methanol 97%. This chemical's molecular formula is C12H11NO and molecular weight is 185.22. What's more, its systematic name is called (2-Pyridin-3-ylphenyl)methanol.
Physical properties about Benzenemethanol,2-(3-pyridinyl)- are: (1) ACD/LogP: 1.48; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.42; (4) ACD/LogD (pH 7.4): 1.48; (5) ACD/BCF (pH 5.5): 6.84; (6) ACD/BCF (pH 7.4): 7.78; (7) ACD/KOC (pH 5.5): 132.87; (8) ACD/KOC (pH 7.4): 151.11; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 22.12 Å2; (13) Index of Refraction: 1.6; (14) Molar Refractivity: 55.38 cm3; (15) Molar Volume: 161.7 cm3; (16) Surface Tension: 49.1 dyne/cm; (17) Density: 1.145 g/cm3; (18) Flash Point: 182.1 °C; (19) Enthalpy of Vaporization: 65.97 kJ/mol; (20) Boiling Point: 377.6 °C at 760 mmHg; (21) Vapour Pressure: 2.26E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccccc1c2cccnc2
(2) InChI: InChI=1/C12H11NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-8,14H,9H2
(3) InChIKey: QREMDJYNQPJMFO-UHFFFAOYAM