benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

CAS: 1965309-17-4

Formula: C14H15NO3

SMILES: O=C(OCC1=CC=CC=C1)N1C2CC1CC(=O)C2

IUPAC: benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

InChI: InChI=1/C14H15NO3/c16-13-7-11-6-12(8-13)15(11)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2

Composition: C (68.56%), H (6.16%), N (5.71%), O (19.57%)

Molar Mass: 245.278

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	245.105193347
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WKUWXTRDQFJJEN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.21
Topological Polar Surface Area	46.61
Polarizability	25.59
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1965309-17-4		$457.70-$3,254.50$457.70$687.70$1,133.90$1,932.00$3,254.50$11,327.50