4,6-Dihydroxybenzene-1,3-dicarbonitrile
Product Information
Molecular Formula
C8H4N2O2
Molecular Weight
160.13
IUPAC Name
4,6-dihydroxybenzene-1,3-dicarbonitrile
SMILES
C1=C(C(=CC(=C1C#N)O)O)C#N
InChI
InChI=1S/C8H4N2O2/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2,11-12H
InChI Key
FPRQCDXOTPOQES-UHFFFAOYSA-N
Purity
95%
Computed Properties
XLogP3
1.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
160.027277375
Monoisotopic Mass
160.027277375
Topological Polar Surface Area
88
Heavy Atom Count
12
Formal Charge
0
Complexity
233
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| AU-2013265119-A1 | Catechol O-methyltransferase activity inhibiting compounds | 2012-05-24 |
| CA-2871801-A1 | Catechol o-methyltransferase activity inhibiting compounds | 2012-05-24 |
| EA-028466-B1 | COMPOUNDS INHIBITING CATECHOL-O-METHYLTRANSFERASE ACTIVITY | 2012-05-24 |
| IL-235396-A | Catalytic o-methyltransferase active suppressants | 2012-05-24 |
| JP-2015522547-A | Catechol O-methyltransferase activity inhibiting compound | 2012-05-24 |
| JP-6181747-B2 | Catechol O-methyltransferase activity inhibiting compound | 2012-05-24 |
| KR-20150013198-A | Catechol o-methyltransferase activity inhibiting compounds | 2012-05-24 |
| CA-2871801-C | Catechol o-methyltransferase activity inhibiting compounds | 2012-05-24 |
