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127957-88-4 | 5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-, ethyl ester
CAS No: 127957-88-4 Catalog No: AG000XKW MDL No:MFCD07369124
Product Description
Catalog Number:
AG000XKW
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-, ethyl ester
CAS Number:
127957-88-4
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
MDL Number:
MFCD07369124
IUPAC Name:
ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate
InChI:
InChI=1S/C10H14N2O2/c1-4-9-8(10(13)14-5-2)6-11-7(3)12-9/h6H,4-5H2,1-3H3
InChI Key:
JTMQZVGORSUJMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1CC)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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