2-pentanoylbenzonitrile

2-pentanoylbenzonitrile

Formula: C12H13NO

SMILES: CCCCC(=O)C1=CC=CC=C1C#N

IUPAC: 2-pentanoylbenzonitrile

InChI: InChI=1S/C12H13NO/c1-2-3-8-12(14)11-7-5-4-6-10(11)9-13/h4-7H,2-3,8H2,1H3

Composition: C (76.98%), H (7.00%), N (7.48%), O (8.54%)

Molar Mass: 187.242

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.099714043
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	KOCQQHNRFHEVLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.01
Topological Polar Surface Area	40.86
Polarizability	21.42
Ring Count	1
Rotatable Bond Count	4

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13NO		Quote Only