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127957-93-1 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-, ethyl ester
CAS No: 127957-93-1 Catalog No: AG000XM7 MDL No:
Product Description
Catalog Number:
AG000XM7
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-phenyl-, ethyl ester
CAS Number:
127957-93-1
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C14H14N2O2/c1-3-18-14(17)12-9-15-10(2)16-13(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChI Key:
DNDJARWVBDEYEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1c1ccccc1)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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