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127957-90-8 | 5-Pyrimidinecarboxylic acid, 2-methyl-4-(1-methylethyl)-, ethyl ester
CAS No: 127957-90-8 Catalog No: AG000XM8 MDL No:MFCD07367434
Product Description
Catalog Number:
AG000XM8
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-methyl-4-(1-methylethyl)-, ethyl ester
CAS Number:
127957-90-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD07367434
IUPAC Name:
ethyl 2-methyl-4-propan-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C11H16N2O2/c1-5-15-11(14)9-6-12-8(4)13-10(9)7(2)3/h6-7H,5H2,1-4H3
InChI Key:
FSNVLIRGOYBZLG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1C(C)C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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