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122773-99-3 | 5-Pyrimidinecarboxylic acid, 4-ethoxy-2-phenyl-, ethyl ester
CAS No: 122773-99-3 Catalog No: AG000JG5 MDL No:MFCD00483313
Product Description
Catalog Number:
AG000JG5
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethoxy-2-phenyl-, ethyl ester
CAS Number:
122773-99-3
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD00483313
IUPAC Name:
ethyl 4-ethoxy-2-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C15H16N2O3/c1-3-19-14-12(15(18)20-4-2)10-16-13(17-14)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI Key:
QIJXPLJLCFRKSO-UHFFFAOYSA-N
SMILES:
CCOc1nc(ncc1C(=O)OCC)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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