| CAS Number | 1419101-13-5 |
| Catalog Number | AG001HD0(AGN-PC-0WCJBJ) |
| Chemical Name | benzyl 1-oxo-6-azaspiro[3.4]octane-6-carboxylate |
| IUPAC Name | benzyl 3-oxo-6-azaspiro[3.4]octane-6-carboxylate |
| InChI | InChI=1S/C15H17NO3/c17-13-6-7-15(13)8-9-16(11-15)14(18)19-10-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChI Key | XCLWLWNRJAISHO-UHFFFAOYSA-N |
| MDL Number | MFCD23106475 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | O=C(N1CC2(C(=O)CC2)CC1)OCC1=CC=CC=C1 |
| Synonyms | benzyl 1-oxo-6-azaspiro[3.4]octane-6-carboxylate,
1419101-13-5,
6-Cbz-1-oxo-6-aza-spiro[3.4]octane,
KS-000005KS,
AKOS025291062,
FCH3050880,
PB35950,
AK171256,
AS-34188,
OR317277,
CS-0049869,
6-Cbz-1-oxo-6-aza-spiro[3.4]octane, AldrichCPR,
6-Azaspiro[3.4]octane-6-carboxylic acid, 1-oxo-, phenylmethyl ester,
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| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.120843g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.3g/mol |
| Monoisotopic Mass | 259.120843g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number