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tert-butyl 4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

tert-butyl 4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

CAS: 849928-22-9

Formula: C18H23NO4

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=C(O2)C=CC=C1

IUPAC: tert-butyl 4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

InChI: InChI=1S/C18H23NO4/c1-17(2,3)23-16(21)19-10-8-18(9-11-19)12-14(20)13-6-4-5-7-15(13)22-18/h4-7H,8-12H2,1-3H3

Composition: C (68.12%), H (7.30%), N (4.41%), O (20.16%)

Molar Mass: 317.385

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 317.162708225
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UBIJXGGLEBMDOG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.11
Topological Polar Surface Area 55.84
Polarizability 33.61
Ring Count 3
Rotatable Bond Count 2

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