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100724-16-1 | 5-Pyrimidinecarboxylic acid, 4-phenyl-, ethyl ester
CAS No: 100724-16-1 Catalog No: AG0002QG MDL No:
Product Description
Catalog Number:
AG0002QG
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-phenyl-, ethyl ester
CAS Number:
100724-16-1
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
ethyl 4-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-14-9-15-12(11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
HENFGBQLRJLYFL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cncnc1c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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