4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester


Chemical Name: 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, methyl ester
CAS Number: 6153-44-2
Product Number: AG00E9G8(AGN-PC-0JLSJJ)
Synonyms:
MDL No:
Molecular Formula: C6H6N2O4
Molecular Weight: 170.1228

Identification/Properties


Computed Properties
Molecular Weight:
170.124g/mol
XLogP3:
-0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
170.033g/mol
Monoisotopic Mass:
170.033g/mol
Topological Polar Surface Area:
84.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
281
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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