| CAS Number | 1016501-29-3 |
| Catalog Number | AG01BUT6 |
| Chemical Name | 1-Acryloylpiperidine-3-carboxylic acid |
| IUPAC Name | 1-prop-2-enoylpiperidine-3-carboxylic acid |
| InChI | InChI=1S/C9H13NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h2,7H,1,3-6H2,(H,12,13) |
| InChI Key | VBROFLVSVXVQEG-UHFFFAOYSA-N |
| MDL Number | MFCD09932509 |
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.2044 |
| SMILES | O=C(C1CN(C(C=C)=O)CCC1)O |
| Synonyms | 1-(prop-2-enoyl)piperidine-3-carboxylic acid,
1016501-29-3,
SCHEMBL5121118,
AKOS000174009,
AKOS022475501,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.207g/mol |
| Monoisotopic Mass | 183.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number