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1'-(tert-butoxycarbonyl)-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid

1'-(tert-butoxycarbonyl)-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid

CAS: 921760-85-2

Formula: C19H23NO6

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=CC(=CC=C1O2)C(O)=O

IUPAC: 1'-[(tert-butoxy)carbonyl]-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-6-carboxylic acid

InChI: InChI=1S/C19H23NO6/c1-18(2,3)26-17(24)20-8-6-19(7-9-20)11-14(21)13-10-12(16(22)23)4-5-15(13)25-19/h4-5,10H,6-9,11H2,1-3H3,(H,22,23)

Composition: C (63.15%), H (6.42%), N (3.88%), O (26.56%)

Molar Mass: 361.394

Atom Count: 49

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 361.152537465
Formal Charge 0
FSP3 0.53
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GRXCQOKLFGQSTQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.36
Topological Polar Surface Area 93.14
Polarizability 36.01
Ring Count 3
Rotatable Bond Count 3

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