Back to Search
Uric Acid
CAS: 69-93-2 | C5H4N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-93-2
Molecular Formula:
C5H4N4O3
Molecular Mass:
168.11 g/mol
Names and Synonyms:
Uric Acid
1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-
Uric acid
7,9-Dihydro-1H-purine-2,6,8(3H)-trione
Lithic acid
Purine-2,6,8(1H,3H,9H)-trione
2,6,8-Trioxypurine
1H-Purine-2,6,8-triol
2,6,8-Trioxopurine
2,6,8-Trihydroxypurine
NSC 3975
Uric acid hyperuricemia
2,3,6,7,8,9-Hexahydro-1H-purine-2,6,8-trione
Identifiers:
SMILES:
Oc1nc(O)c2nc(O)[nH]c2n1
InChI:
InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
Key Properties
Melting Point
310 °C (decomp)
CAS Common Chemistry
Density
1.003-1.010 g/cm3
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.11 g/mol | CAS Common Chemistry |
| 168.112 g/mol | RDKit | |
| 168.028339988 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Uric_acid | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)C=2NC(=O)NC2N1 | CAS Common Chemistry |
| Density | 1.003-1.010 g/cm3 | CAS Common Chemistry |
| InChI | InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=LEHOTFFKMJEONL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 310 °C (decomp) | CAS Common Chemistry |
| Name | Uric acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 115.15000000000002 Ų | RDKit |
| LogP | -0.5303000000000002 | RDKit |
| Molar Refractivity | 36.67810000000001 | RDKit |
