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CAS No.: | 2047-23-6 |
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Name: | ethyl 8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylate |
Molecular Structure: | |
Formula: | C10H10N4O3 |
Molecular Weight: | 234.214 |
Synonyms: | NSC73521;ethyl 8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylate; |
Density: | 1.45 g/cm3 |
Boiling Point: | 400.6 °C at 760 mmHg |
Flash Point: | 196.1 °C |
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The CAS register number of 6-Pteridinecarboxylicacid, 7,8-dihydro-8-methyl-7-oxo-, ethyl ester is 2047-23-6. The systematic name about this chemical is ethyl 8-methyl-7-oxo-7,8-dihydropteridine-6-carboxylate. The molecular formula about this chemical is C10H10N4O3 and the molecular weight is 234.2114.
Physical properties about 6-Pteridinecarboxylicacid, 7,8-dihydro-8-methyl-7-oxo-, ethyl ester are: (1)ACD/LogP: -1.48; (2)#H bond acceptors: 7; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 84.75Å2; (5)Index of Refraction: 1.659; (6)Molar Refractivity: 59.37 cm3; (7)Molar Volume: 160.8 cm3; (8)Polarizability: 23.53x10-24cm3; (9)Surface Tension: 55.8 dyne/cm; (10)Flash Point: 196.1 °C; (11)Enthalpy of Vaporization: 65.15 kJ/mol; (12)Boiling Point: 400.6 °C at 760 mmHg; (13)Vapour Pressure: 1.26E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1N(c2ncncc2/N=C/1C(=O)OCC)C
(2)InChI: InChI=1/C10H10N4O3/c1-3-17-10(16)7-9(15)14(2)8-6(13-7)4-11-5-12-8/h4-5H,3H2,1-2H3
(3)InChIKey: JEBWOBVOTXICHL-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H10N4O3/c1-3-17-10(16)7-9(15)14(2)8-6(13-7)4-11-5-12-8/h4-5H,3H2,1-2H3
(5)Std. InChIKey: JEBWOBVOTXICHL-UHFFFAOYSA-N