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tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

CAS: 1363210-35-8

Formula: C12H21NO3

SMILES: CC(C)(C)OC(=O)N1CC2CC1CC2CO

IUPAC: tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

InChI: InChI=1/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-10(13)5-9(8)7-14/h8-10,14H,4-7H2,1-3H3

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 227.15214354
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FZSNTGVWRIIJNL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.64
Topological Polar Surface Area 49.77
Polarizability 23.92
Ring Count 2
Rotatable Bond Count 3

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