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| CAS No.: | 42028-33-1 |
|---|---|
| Name: | 4-Hydroxy-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Structure: | |
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| Formula: | C4H3N5O3 |
| Molecular Weight: | 169.12 |
| Synonyms: | 3-Hydroxy-8-azaxanthine;4-Hydroxy-3H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione; |
| Density: | 2.164g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 116.66000 |
| LogP: | -1.95480 |
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Product Name: 3-Hydroxy-8-azaxanthine (CAS NO.42028-33-1)

Molecular Formula: C4H3N5O3
Molecular Weight: 169.12g/mol
Mol File: 42028-33-1.mol
Density: 2.164 g/cm3
Surface Tension: 181.8 dyne/cm
XLogP3-AA: -1.5
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of 3-Hydroxy-8-azaxanthine (CAS NO.42028-33-1):
IUPAC Name: 4-Hydroxy-2H-triazolo[4,5-d]pyrimidine-5,7-dione
Canonical SMILES: C12=NNN=C1N(C(=O)NC2=O)O
InChI: InChI=1S/C4H3N5O3/c10-3-1-2(7-8-6-1)9(12)4(11)5-3/h12H,(H,5,10,11)(H,6,7,8)
InChIKey: CDDIMGICOMBXAX-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
3-Hydroxy-8-azaxanthine , its CAS NO. is 42028-33-1, the synonyms are 4-Hydroxy-3H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione ; 3H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4-hydroxy- .