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832090-50-3 | 5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester
CAS No: 832090-50-3 Catalog No: AG004VDB MDL No:
Product Description
Catalog Number:
AG004VDB
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethyl-6-methyl-2-phenyl-, methyl ester
CAS Number:
832090-50-3
Molecular Formula:
C15H16N2O2
Molecular Weight:
256.2997
IUPAC Name:
methyl 4-ethyl-6-methyl-2-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C15H16N2O2/c1-4-12-13(15(18)19-3)10(2)16-14(17-12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
InChI Key:
BHIGPSPOKKJLBH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)nc(nc1CC)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.305g/mol
Monoisotopic Mass:
256.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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