benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS: 31865-25-5

Formula: C12H13NO3

SMILES: O=C(OCC1=CC=CC=C1)N1CC2OC2C1

IUPAC: benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI: InChI=1/C12H13NO3/c14-12(13-6-10-11(7-13)16-10)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	219.089543283
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FZDACFZWWMAUBO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.94
Topological Polar Surface Area	42.07
Polarizability	22.53
Ring Count	3
Rotatable Bond Count	3

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