5-Hydroxyisophthalonitrile - CAS 79370-78-8
Catalog: |
BB036334 |
Product Name: |
5-Hydroxyisophthalonitrile |
CAS: |
79370-78-8 |
Synonyms: |
5-hydroxybenzene-1,3-dicarbonitrile; 5-hydroxybenzene-1,3-dicarbonitrile |
IUPAC Name: | 5-hydroxybenzene-1,3-dicarbonitrile |
Description: | 5-Hydroxyisophthalonitrile (CAS# 79370-78-8) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C8H4N2O |
Canonical SMILES: | C1=C(C=C(C=C1C#N)O)C#N |
InChI: | InChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H |
InChI Key: | CHASTCUDJNQBOZ-UHFFFAOYSA-N |
Boiling Point: | 295.823 °C at 760 mmHg |
Density: | 1.343 g/cm3 |
MDL: | MFCD11865326 |
LogP: | 1.13556 |
Publication Number | Title | Priority Date |
WO-2021049298-A1 | Composition, photoelectric conversion element and imaging device | 20190911 |
WO-2020203514-A1 | Coloring composition, compound, color filter, and display device | 20190329 |
EP-3484859-A1 | New difluoroketamide derivatives as htra1 inhibitors | 20160718 |
JP-2019522673-A | Novel difluoroketoamide derivatives as HTRA1 inhibitors | 20160718 |
US-2019152895-A1 | NEW DIFLUOROKETAMIDE DERIVATIVES AS HTRAl INHIBITORS | 20160718 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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