4,6-Dihydroxybenzene-1,3-dicarbonitrile

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Product Information

Molecular Formula:
C8H4N2O2
Molecular Weight:
160.13
IUPAC Name
4,6-dihydroxybenzene-1,3-dicarbonitrile
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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