Basic Information | Post buying leads | Suppliers |
Name |
Benzonitrile,2-hydroxy-3-methoxy-5-methyl- |
EINECS | N/A |
CAS No. | 6948-31-8 | Density | 1.2 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9NO2 | Boiling Point | 297.2 °C at 760mmHg |
Molecular Weight | 163.176 | Flash Point | 133.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Cresotonitrile,3-methoxy- (6CI);NSC 55758; |
The Benzonitrile,2-hydroxy-3-methoxy-5-methyl- is an organic compound with the molecular formula C9H9NO2. The CAS registry number of this chemical is 6948-31-8. Its IUPAC name is 2-Hydroxy-3-methoxy-5-methylbenzonitrile. What's more, its molecular weight is 163.1733
Physical properties about Benzonitrile,2-hydroxy-3-methoxy-5-methyl- are: (1)ACD/LogP: 1.65; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.25 Å2; (7)Index of Refraction: 1.558; (8)Molar Refractivity: 43.83 cm3; (9)Molar Volume: 135.7 cm3; (10)Polarizability: 17.37×10-24 cm3; (11)Surface Tension: 52.3 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 133.6 °C; (14)Enthalpy of Vaporization: 55.85 kJ/mol; (15)Boiling Point: 297.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000773 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(cc(OC)c1O)C
(2) InChI: InChI=1/C9H9NO2/c1-6-3-7(5-10)9(11)8(4-6)12-2/h3-4,11H,1-2H3
(3) InChIKey: TXYWKRZGZRSQLC-UHFFFAOYAM