4-Methoxy-2,5-dioxopyrrole-3-carbonitrile - CAS 87465-75-6
Catalog: |
BB038466 |
Product Name: |
4-Methoxy-2,5-dioxopyrrole-3-carbonitrile |
CAS: |
87465-75-6 |
Synonyms: |
4-methoxy-2,5-dioxo-3-pyrrolecarbonitrile; 4-methoxy-2,5-dioxopyrrole-3-carbonitrile |
IUPAC Name: | 4-methoxy-2,5-dioxopyrrole-3-carbonitrile |
Description: | 4-Methoxy-2,5-dioxopyrrole-3-carbonitrile (CAS# 87465-75-6 ) is a useful research chemical. |
Molecular Weight: | 152.11 |
Molecular Formula: | C6H4N2O3 |
Canonical SMILES: | COC1=C(C(=O)NC1=O)C#N |
InChI: | InChI=1S/C6H4N2O3/c1-11-4-3(2-7)5(9)8-6(4)10/h1H3,(H,8,9,10) |
InChI Key: | XKTFDGGIKAYJEJ-UHFFFAOYSA-N |
LogP: | -0.60432 |
Publication Number | Title | Priority Date |
EP-0152759-A1 | Aminoisothiazole compounds | 19840121 |
EP-0152759-B1 | Aminoisothiazole compounds | 19840121 |
JP-H0774209-B2 | Aminoisothiazole compound | 19840121 |
US-4785116-A | Aminoisothiazole compounds | 19840121 |
EP-0086389-A2 | Aminopyrazole compounds | 19820211 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.02219199 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.02219199 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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Pyrroles
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