5-hydroxybenzene-1,3-dicarbonitrile

5-hydroxybenzene-1,3-dicarbonitrile

CAS: 79370-78-8

Formula: C8H4N2O

SMILES: OC1=CC(=CC(=C1)C#N)C#N

IUPAC: 5-hydroxybenzene-1,3-dicarbonitrile

InChI: InChI=1S/C8H4N2O/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3,11H

Composition: C (66.67%), H (2.80%), N (19.44%), O (11.10%)

Molar Mass: 144.133

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	144.032362757
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CHASTCUDJNQBOZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.48
Topological Polar Surface Area	67.81
Polarizability	14.6
Ring Count	1
Rotatable Bond Count	0

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