1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid

1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid

CAS: 866039-58-9

Formula: C14H16N2O5

SMILES: CC(=O)C1=C(C=CC(=C1)N1CCC(CC1)C(O)=O)[N+]([O-])=O

IUPAC: 1-(3-acetyl-4-nitrophenyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C14H16N2O5/c1-9(17)12-8-11(2-3-13(12)16(20)21)15-6-4-10(5-7-15)14(18)19/h2-3,8,10H,4-7H2,1H3,(H,18,19)

Composition: C (57.53%), H (5.52%), N (9.58%), O (27.37%)

Molar Mass: 292.291

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	292.105921623
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YAVQOGJHEAXYIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.59
Topological Polar Surface Area	100.75
Polarizability	28.01
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	866039-58-9		$51.35-$524.40$51.35$63.37$86.31$524.40