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Home Carboxys 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester

CAS No.:
17994-55-7
Catalog Number:
AG0021H1
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG0021H1
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester
CAS Number:
17994-55-7
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD00176475
IUPAC Name:
ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h3-4H2,1-2H3,(H2,9,10,12)
InChI Key:
DIDVRNLWJBGGQJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=O)NC1
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties