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Home > Other Heterocycles > 54775-03-0
54775-03-0 | 3H-spiro[2-benzofuran-1,3'-piperidine]
CAS No: 54775-03-0 Catalog No: AG01AF7I MDL No:MFCD18071869
Product Description
Catalog Number:
AG01AF7I
Chemical Name:
3H-spiro[2-benzofuran-1,3'-piperidine]
CAS Number:
54775-03-0
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD18071869
IUPAC Name:
spiro[1H-2-benzofuran-3,3'-piperidine]
InChI:
InChI=1S/C12H15NO/c1-2-5-11-10(4-1)8-14-12(11)6-3-7-13-9-12/h1-2,4-5,13H,3,6-9H2
InChI Key:
KCAMDBNDUHBEBH-UHFFFAOYSA-N
SMILES:
C1CCC2(CN1)OCc1c2cccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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