1,2,5-oxadiazole-3-carboxylic acid - CAS 88598-08-7
Catalog: |
BB039025 |
Product Name: |
1,2,5-oxadiazole-3-carboxylic acid |
CAS: |
88598-08-7 |
Synonyms: |
1,2,5-oxadiazole-3-carboxylic acid; 1,2,5-oxadiazole-3-carboxylic acid |
IUPAC Name: | 1,2,5-oxadiazole-3-carboxylic acid |
Description: | 1,2,5-oxadiazole-3-carboxylic acid (CAS# 88598-08-7) is a useful research chemical. |
Molecular Weight: | 114.06 |
Molecular Formula: | C3H2N2O3 |
Canonical SMILES: | C1=NON=C1C(=O)O |
InChI: | InChI=1S/C3H2N2O3/c6-3(7)2-1-4-8-5-2/h1H,(H,6,7) |
InChI Key: | JBLHCUQCDKBPGY-UHFFFAOYSA-N |
Boiling Point: | 296.199 °C at 760 mmHg |
Melting Point: | 102 °C |
Purity: | 95 % |
Density: | 1.602 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00604386 |
LogP: | -0.23220 |
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 |
CN-113272309-A | Tricyclic inhibitors of hepatitis B virus | 20180810 |
TW-201927756-A | Integrating stress pathway regulator | 20171102 |
BR-112020008839-A2 | modulators of the integrated stress pathway | 20171102 |
KR-20200096522-A | Modulators of the integrated stress pathway | 20171102 |
US-2020345727-A1 | Modulators of the integrated stress pathway | 20171102 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.00654193 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.00654193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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