Home Carboxys ethyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate

ethyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate

CAS No.:
52047-16-2
Catalog Number:
AG00DJII
Molecular Formula:
C7H7N3O6
Molecular Weight:
229.1470
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Product Description
Catalog Number:
AG00DJII
Chemical Name:
ethyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate
CAS Number:
52047-16-2
Molecular Formula:
C7H7N3O6
Molecular Weight:
229.1470
MDL Number:
MFCD01570795
IUPAC Name:
ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate
InChI:
InChI=1S/C7H7N3O6/c1-2-16-6(12)3-4(10(14)15)5(11)9-7(13)8-3/h2H2,1H3,(H2,8,9,11,13)
InChI Key:
DAZDARINDDLSLS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
NSC Number:
122013
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.148g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties