3-oxo-3-(4-propylphenyl)propanenitrile

3-oxo-3-(4-propylphenyl)propanenitrile

CAS: 199102-69-7

Formula: C12H13NO

SMILES: CCCC1=CC=C(C=C1)C(=O)CC#N

IUPAC: 3-oxo-3-(4-propylphenyl)propanenitrile

InChI: InChI=1S/C12H13NO/c1-2-3-10-4-6-11(7-5-10)12(14)8-9-13/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	KVXGLAIRWBFDBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.03
Topological Polar Surface Area	40.86
Polarizability	21.19
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	199102-69-7		$1,514.00-$4,368.00$1,514.00$2,310.00$4,368.00

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	199102-69-7		$261.03$261.03