2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate


Chemical Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;hydrate
CAS Number: 50887-69-9
Product Number: AG00DENK(AGN-PC-00UR3M)
Synonyms:
MDL No: MFCD00149398
Molecular Formula: C5H6N2O5
Molecular Weight: 174.1115

Identification/Properties


Computed Properties
Molecular Weight:
174.112g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
174.028g/mol
Monoisotopic Mass:
174.028g/mol
Topological Polar Surface Area:
96.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
268
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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