3-oxo-1,2-dihydroisoindole-5-carbonitrile

3-oxo-1,2-dihydroisoindole-5-carbonitrile

CAS: 1261726-80-0

Formula: C9H6N2O

SMILES: O=C1NCC2=C1C=C(C=C2)C#N

IUPAC: 3-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile

InChI: InChI=1S/C9H6N2O/c10-4-6-1-2-7-5-11-9(12)8(7)3-6/h1-3H,5H2,(H,11,12)

Composition: C (68.35%), H (3.82%), N (17.71%), O (10.12%)

Molar Mass: 158.16

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	158.048012821
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OBXKDLJQBYJDHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.31
Topological Polar Surface Area	52.89
Polarizability	16.1
Ring Count	2
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1261726-80-0		$45.82-$817.19$45.82$72.93$194.48$817.19