Home Carboxys methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate

methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate

CAS No.:
1849330-33-1
Catalog Number:
AG01AGZS
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
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Product Description
Catalog Number:
AG01AGZS
Chemical Name:
methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate
CAS Number:
1849330-33-1
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD30497433
IUPAC Name:
methyl 2,6-dioxo-5H-pyrimidine-4-carboxylate
InChI:
InChI=1S/C6H6N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h2H2,1H3,(H,8,9,11)
InChI Key:
VMXCHXUGEQHMFP-UHFFFAOYSA-N
SMILES:
COC(=O)C1=NC(=O)NC(=O)C1
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties