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69207-36-9

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Basic Information
CAS No.: 69207-36-9
Name: ETHYL 6-METHYL-2-OXO-4-PHENYL-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLATE
Article Data: 42
Molecular Structure:
Molecular Structure of 69207-36-9 (ETHYL 6-METHYL-2-OXO-4-PHENYL-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLATE)
Formula: C14H14N2O3
Molecular Weight: 258.277
Synonyms: ETHYL 6-METHYL-2-OXO-4-PHENYL-1,2-DIHYDRO-5-PYRIMIDINECARBOXYLATE
Density: 1.23 g/cm3
Melting Point: 192-194°C
PSA: 72.05000
LogP: 1.92200
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Specification

This chemical is called 5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-2-oxo-6-phenyl-, ethyl ester, and its systematic name is ethyl 6-methyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxylate. With the molecular formula of C14H14N2O3, its molecular weight is 258.27. The CAS registry number of this chemical is 69207-36-9.  

Other characteristics of the 5-Pyrimidinecarboxylic acid, 1,2-dihydro-4-methyl-2-oxo-6-phenyl-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.53; (6)ACD/BCF (pH 7.4): 10.48; (7)ACD/KOC (pH 5.5): 187.66; (8)ACD/KOC (pH 7.4): 186.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 70.79 cm3; (15)Molar Volume: 209.7 cm3; (16)Polarizability: 28.06×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.23 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1/N=C(\C(\C(=O)OCC)=C(/N1)C)c2ccccc2
2.InChI: InChI=1/C14H14N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,18)
3.InChIKey: SWIRDXKNRHFQJR-UHFFFAOYAE