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1228079-29-5 | Spiro[2H-indene-2,4'-piperidine]-1'-carboxylic acid, 1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester
CAS No: 1228079-29-5 Catalog No: AG000JIU MDL No:MFCD22689932
Product Description
Catalog Number:
AG000JIU
Chemical Name:
Spiro[2H-indene-2,4'-piperidine]-1'-carboxylic acid, 1,3-dihydro-1-oxo-, 1,1-dimethylethyl ester
CAS Number:
1228079-29-5
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
MDL Number:
MFCD22689932
IUPAC Name:
tert-butyl 3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C18H23NO3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-13-6-4-5-7-14(13)15(18)20/h4-7H,8-12H2,1-3H3
InChI Key:
WYDRCMKCBWMSNK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)Cc1c(C2=O)cccc1)OC(C)(C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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