4-acetyl-2-methylbenzonitrile

4-acetyl-2-methylbenzonitrile

CAS: 1138444-80-0

Formula: C10H9NO

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

IUPAC: 4-acetyl-2-methylbenzonitrile

InChI: InChI=1S/C10H9NO/c1-7-5-9(8(2)12)3-4-10(7)6-11/h3-5H,1-2H3

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	LWNRBRVWBVQQIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.22
Topological Polar Surface Area	40.86
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	1

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