chempirical

Uracil-5-carboxylic acid monohydrate

C5H6N2O5CAS 69727-34-0174.11 g/mol

Open in Covalent MOL file
ONHOHNOOHH2O
Carboxylic acid

Properties

Molecular formula
C5H6N2O5
Molar mass
174.11 g/mol
Exact mass
174.0277 Da
logP
-2.06Crippen estimate
Polar surface area
134.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
69727-34-0
SMILES
C1=C(C(=O)NC(=O)N1)C(=O)O.O
InChIKey
HUMYNECKRWOZGW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);1H2

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Work with Uracil-5-carboxylic acid monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloro-2-hydroxynicotinic acid38076-80-144 % similar 2-Hydroxy-6-(trifluoromethyl)nicotinicacid191595-63-842 % similar Uracil-5-boronic acid70523-22-741 % similar 4-Hydroxy-6-methyl-nicotinic acid67367-33-340 % similar 2-Hydroxy-5-nitronicotinic acid6854-07-539 % similar Indole-3-carboxylic acid771-50-639 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-239 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1H-Pyrazole-3,5-dicarboxylic acid monohydrate303180-11-2 Orotic acid monohydrate50887-69-9

Elsewhere

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