| CAS Number | 54775-03-0 |
| Catalog Number | AG01AF7I(AGN-PC-0WOCIC) |
| Chemical Name | 3H-spiro[2-benzofuran-1,3'-piperidine] |
| 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 |
| MDL Number | MFCD18071869 |
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.2536 |
| SMILES | C1C2=C(C=CC=C2)C2(CNCCC2)O1 |
| Synonyms | 3H-spiro[2-benzofuran-1,3'-piperidine],
54775-03-0,
SCHEMBL9371636,
AKOS024064862,
NE51740,
Z1953525954,
spiro[isobenzofuran-1(3h),3'-piperidine],
|
| 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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Certificate of Analysis
Lot Number