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1017599-05-1 | Spiro[furo[3,4-c]pyridine-3(1H),4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 1017599-05-1 Catalog No: AG0005E7 MDL No:MFCD11113073
Product Description
Catalog Number:
AG0005E7
Chemical Name:
Spiro[furo[3,4-c]pyridine-3(1H),4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1017599-05-1
Molecular Formula:
C16H22N2O3
Molecular Weight:
290.3575
MDL Number:
MFCD11113073
IUPAC Name:
tert-butyl spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C16H22N2O3/c1-15(2,3)21-14(19)18-8-5-16(6-9-18)13-10-17-7-4-12(13)11-20-16/h4,7,10H,5-6,8-9,11H2,1-3H3
InChI Key:
RNNLQHIFBWTAMM-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCc1c2cncc1)OC(C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.363g/mol
Monoisotopic Mass:
290.163g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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