Home Carboxys Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 4',5'-dihydro-, 1,1-dimethylethyl ester

Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 4',5'-dihydro-, 1,1-dimethylethyl ester

CAS No.:
1283095-48-6
Catalog Number:
AG000XYB
Molecular Formula:
C16H23NO3S
Molecular Weight:
309.4237
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Product Description
Catalog Number:
AG000XYB
Chemical Name:
Spiro[piperidine-4,7'-[7H]thieno[2,3-c]pyran]-1-carboxylic acid, 4',5'-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1283095-48-6
Molecular Formula:
C16H23NO3S
Molecular Weight:
309.4237
MDL Number:
MFCD22372746
IUPAC Name:
tert-butyl spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C16H23NO3S/c1-15(2,3)20-14(18)17-8-6-16(7-9-17)13-12(4-10-19-16)5-11-21-13/h5,11H,4,6-10H2,1-3H3
InChI Key:
IFDITPFMGGLVMB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCCc1c2scc1)OC(C)(C)C
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.14g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.424g/mol
Monoisotopic Mass:
309.14g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties