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CAS No.: | 906352-96-3 |
---|---|
Name: | 3-[(6-Methylpyrazin-2-yl)oxy]benzoic acid |
Molecular Structure: | |
Formula: | C12H10N2O3 |
Molecular Weight: | 230.2194 |
Synonyms: | Benzoicacid, 3-[(6-methylpyrazinyl)oxy]- (9CI); |
Density: | 1.313 g/cm3 |
Melting Point: | 130-134 °C |
Boiling Point: | 409.9 °C at 760 mmHg |
Flash Point: | 201.7 °C |
PSA: | 72.31000 |
LogP: | 2.27550 |
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The Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]-, with the CAS registry number 906352-96-3, is also known as Benzoicacid, 3-[(6-methylpyrazinyl)oxy]- (9CI). This chemical's molecular formula is C12H10N2O3 and molecular weight is 230.2194. What's more, its systematic name is called 3-(6-Methylpyrazin-2-yl)oxybenzoic acid.
Physical properties about Benzoicacid, 3-[(6-methyl-2-pyrazinyl)oxy]- are: (1) ACD/LogP: 1.54; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.06; (4) Vapour Pressure: 1.87E-07 mmHg at 25 °C;(5) #H bond acceptors: 5; (6) #H bond donors: 1; (7) #Freely Rotating Bonds: 3; (8) Polar Surface Area: 72.31 Å2; (9) Index of Refraction: 1.608; (10) Molar Refractivity: 60.63 cm3; (11) Molar Volume: 175.2 cm3; (12) Surface Tension: 59.3 dyne/cm; (13) Density: 1.313 g/cm3; (14) Flash Point: 201.7 °C; (15) Enthalpy of Vaporization: 69.82 kJ/mol; (16) Boiling Point: 409.9 °C at 760 mmHg; (17) Melting Point: 130-134 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cncc(n1)Oc2cccc(c2)C(=O)O
(2) InChI: InChI=1/C12H10N2O3/c1-8-6-13-7-11(14-8)17-10-4-2-3-9(5-10)12(15)16/h2-7H,1H3,(H,15,16)
(3) InChIKey: OKPBLLHANTVVJS-UHFFFAOYAZ