4-Amino-1,2,5-oxadiazole-3-carboxylic Acid - CAS 78350-50-2
Catalog: |
BB036155 |
Product Name: |
4-Amino-1,2,5-oxadiazole-3-carboxylic Acid |
CAS: |
78350-50-2 |
Synonyms: |
4-amino-1,2,5-oxadiazole-3-carboxylic acid; 4-amino-1,2,5-oxadiazole-3-carboxylic acid |
IUPAC Name: | 4-amino-1,2,5-oxadiazole-3-carboxylic acid |
Description: | 4-Amino-1,2,5-oxadiazole-3-carboxylic Acid (CAS# 78350-50-2) is a useful research chemical. |
Molecular Weight: | 129.07 |
Molecular Formula: | C3H3N3O3 |
Canonical SMILES: | C1(=NON=C1N)C(=O)O |
InChI: | InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8) |
InChI Key: | YOXIXLVJYMCCIB-UHFFFAOYSA-N |
Boiling Point: | 385.4 °C at 760 mmHg |
Density: | 1.756 g/cm3 |
MDL: | MFCD00235172 |
LogP: | -0.06880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013267521-A1 | Heterocyclic compounds and uses thereof | 20120410 |
US-2015105385-A1 | Heterocyclic compounds and uses thereof | 20120410 |
US-8940742-B2 | Heterocyclic compounds and uses thereof | 20120410 |
WO-2013154878-A1 | Heterocyclic compounds and uses thereof | 20120410 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.01744097 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.01744097 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 102 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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