| CAS Number | 61995-19-5 |
| Catalog Number | AG00IAYB(AGN-PC-0NII8Y) |
| Chemical Name | Ethyl 3-oxopiperidine-1-carboxylate |
| IUPAC Name | ethyl 3-oxopiperidine-1-carboxylate |
| InChI | InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-4-7(10)6-9/h2-6H2,1H3 |
| InChI Key | VWQXCLBFGRMQJC-UHFFFAOYSA-N |
| MDL Number | MFCD15144251 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CCOC(=O)N1CCCC(=O)C1 |
| Synonyms | Ethyl 3-oxopiperidine-1-carboxylate,
61995-19-5,
1-carbethoxy-3-piperidone,
SCHEMBL6306521,
1-Ethoxycarbonylpiperidin-3-one,
CTK2C9163,
1-Ethoxycarbonyl-piperidin-3-one,
DTXSID40487558,
VWQXCLBFGRMQJC-UHFFFAOYSA-N,
MFCD15144251,
ZINC39206030,
AKOS015996814,
1-Ethoxycarbonyl-piperidin-3-one, 98%,
AJ-99038,
1-Piperidinecarboxylic acid, 3-oxo-, ethyl ester,
Ethyl3-oxopiperidine-1-carboxylate,
1-Ethoxycarbonyl-piperidin-3-one, 98% - 100G 100g,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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