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CAS No.: | 915707-58-3 |
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Name: | 4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid |
Molecular Structure: | |
Formula: | C9H10N2O3 |
Molecular Weight: | 194.1873 |
Synonyms: | 4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid;4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid 97%;3,4-Dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid 97%;7-Carboxy-3,4-dihydro-4-methyl-2H-pyrido[3,2-b][1,4]oxazine |
Density: | 1.347g/cm3 |
Melting Point: | 231.5 °C |
Boiling Point: | 421.1 °C at 760 mmHg |
Flash Point: | 208.5 °C |
PSA: | 62.66000 |
LogP: | 0.67340 |
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The 2H-Pyrido[3,2-b]-1,4-oxazine-7-carboxylicacid, 3,4-dihydro-4-methyl-, with CAS registry number 915707-58-3, has the systematic name of 4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid. And the chemical formula of this chemical is C9H10N2O3.
Physical properties of 2H-Pyrido[3,2-b]-1,4-oxazine-7-carboxylicacid, 3,4-dihydro-4-methyl-: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 62.66 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 48.71 cm3; (9)Molar Volume: 144.1 cm3; (10)Polarizability: 19.31×10-24cm3; (11)Surface Tension: 56.5 dyne/cm; (12)Enthalpy of Vaporization: 71.17 kJ/mol; (13)Vapour Pressure: 7.62E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCOc2c1ncc(c2)C(=O)O
(2)InChI: InChI=1/C9H10N2O3/c1-11-2-3-14-7-4-6(9(12)13)5-10-8(7)11/h4-5H,2-3H2,1H3,(H,12,13)
(3)InChIKey: JTDUYLQIBHWRRK-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H10N2O3/c1-11-2-3-14-7-4-6(9(12)13)5-10-8(7)11/h4-5H,2-3H2,1H3,(H,12,13)
(5)Std. InChIKey: JTDUYLQIBHWRRK-UHFFFAOYSA-N