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CAS No.: | 14894-77-0 |
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Name: | 2,4,5-TRIMETHOXYBENZONITRILE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H11NO3 |
Molecular Weight: | 193.202 |
Synonyms: | 2,4,5-Trimethoxybenzonitrile;3,4,6-Trimethoxybenzonitrile; |
Density: | 1.15 g/cm3 |
Melting Point: | 112-114 °C |
Boiling Point: | 333.8 °C at 760 mmHg |
Flash Point: | 139.4 °C |
PSA: | 51.48000 |
LogP: | 1.58408 |
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The Benzonitrile,2,4,5-trimethoxy- is an organic compound with the formula C10H11NO3. The IUPAC name of this chemical is 2,4,5-triMethoxybenzonitrile. Its CAS registry number is 14894-77-0. In addition, the molecular weight is 193.2. It belongs to the product category of Aromatic Nitriles.
Physical properties about Benzonitrile,2,4,5-trimethoxy- are: (1)ACD/LogP: 1.72; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.48 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 50.41 cm3; (9)Molar Volume: 167.2 cm3; (10)Polarizability: 19.98×10-24 cm3; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.15 g/cm3; (13)Flash Point: 139.4 °C; (14)Enthalpy of Vaporization: 57.67 kJ/mol; (15)Boiling Point: 333.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000133 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1c(OC)cc(OC)c(OC)c1
(2) InChI: InChI=1/C10H11NO3/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-5H,1-3H3
(3) InChIKey: QYLMOMNYCPHSJW-UHFFFAOYAK