2H-1,2,3-Triazole-4-carboxylic Acid - CAS 573714-78-0
Catalog: |
BB064377 |
Product Name: |
2H-1,2,3-Triazole-4-carboxylic Acid |
CAS: |
573714-78-0 |
Synonyms: |
1H-1,2,3-triazole-4-carboxylic acid; 2H-1,2,3-triazole-4-carboxylic acid; 1H-1,2,3-Triazole-5-carboxylic acid; 1H-[1,2,3]triazole-4-carboxylic acid; 2H-triazole-4-carboxylic acid; 4-Carboxy-1,2,3-triazole; 1,2,3-triazole-4-carboxylic acid |
Related CAS: | 16681-70-2
|
IUPAC Name: | 2H-triazole-4-carboxylic acid |
Description: | 2H-1,2,3-Triazole-4-carboxylic Acid can be used as DNA polymerase IIIC inhibitors. |
Molecular Weight: | 113.08 |
Molecular Formula: | C3H3N3O2 |
Canonical SMILES: | C1=NNN=C1C(=O)O |
InChI: | InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6) |
InChI Key: | GTODOEDLCNTSLG-UHFFFAOYSA-N |
Melting Point: | >197 °C (dec.) |
Solubility: | DMSO (Sparingly, Sonicated), Methanol (Slightly) |
Appearance: | Off-White to Light Red Solid |
Storage: | 4°C, Inert atmosphere |
References: | Yu, X.Y., et.al. WIPO WO2020132174 A1, (2020). |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 113.022526347 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 113.022526347 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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