2-(2-acetylphenyl)acetonitrile

2-(2-acetylphenyl)acetonitrile

CAS: 58422-85-8

Formula: C10H9NO

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

IUPAC: 2-(2-acetylphenyl)acetonitrile

InChI: InChI=1S/C10H9NO/c1-8(12)10-5-3-2-4-9(10)6-7-11/h2-5H,6H2,1H3

Composition: C (75.45%), H (5.70%), N (8.80%), O (10.05%)

Molar Mass: 159.188

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.068413914
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QDISFSKYAUGJBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.75
Topological Polar Surface Area	40.86
Polarizability	17.58
Ring Count	1
Rotatable Bond Count	2

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