5-formylbenzene-1,3-dicarbonitrile

5-formylbenzene-1,3-dicarbonitrile

CAS: 331714-58-0

Formula: C9H4N2O

SMILES: O=CC1=CC(=CC(=C1)C#N)C#N

IUPAC: 5-formylbenzene-1,3-dicarbonitrile

InChI: InChI=1S/C9H4N2O/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,6H

Composition: C (69.23%), H (2.58%), N (17.94%), O (10.25%)

Molar Mass: 156.144

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	156.032362757
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TXKYUJKLEQNBAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.09
Topological Polar Surface Area	64.65
Polarizability	15.89
Ring Count	1
Rotatable Bond Count	1

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