Home Carboxys ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate

CAS No.:
64179-80-2
Catalog Number:
AG01ACMJ
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG01ACMJ
Chemical Name:
ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CAS Number:
64179-80-2
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD04969839
IUPAC Name:
ethyl 2-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-3-7-10-5-6(8(12)11-7)9(13)14-4-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChI Key:
LGRBWCOYHPFTAF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc([nH]c1=O)CC
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties