| CAS Number | 788812-21-5 |
| Catalog Number | AG008NL5(AGN-PC-00PMOF) |
| Chemical Name | Spiro[isoindoline-1,4'-piperidin]-3-one |
| IUPAC Name | spiro[2H-isoindole-3,4'-piperidine]-1-one |
| InChI | InChI=1S/C12H14N2O/c15-11-9-3-1-2-4-10(9)12(14-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H,14,15) |
| InChI Key | JKJBINGBZKSOFX-UHFFFAOYSA-N |
| MDL Number | MFCD18711590 |
| Molecular Formula | C12H14N2O |
| Molecular Weight | 202.2524 |
| SMILES | O=C1NC2(CCNCC2)C3=C1C=CC=C3 |
| Synonyms | spiro[isoindoline-1,4'-piperidin]-3-one,
788812-21-5,
Spiro[1H-isoindole-1,4'-piperidin]-3(2H)-one,
spiro[isoindole-1,4'-piperidin]-3(2H)-one,
SCHEMBL654703,
CTK2G4766,
DTXSID50573971,
JKJBINGBZKSOFX-UHFFFAOYSA-N,
ZINC34580676,
AKOS022693967,
2H-Spiro[isoindole-1,4'-piperidine]-3-one,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.257g/mol |
| Monoisotopic Mass | 202.111g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P342+P311-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number