| CAS Number | 1019363-10-0 |
| Catalog Number | AG01AAWK(AGN-PC-0WCO6O) |
| Chemical Name | 1-(Methoxycarbonyl)piperidine-3-carboxylic acid |
| IUPAC Name | 1-methoxycarbonylpiperidine-3-carboxylic acid |
| InChI | InChI=1S/C8H13NO4/c1-13-8(12)9-4-2-3-6(5-9)7(10)11/h6H,2-5H2,1H3,(H,10,11) |
| InChI Key | JUWHQANQIXFDDM-UHFFFAOYSA-N |
| MDL Number | MFCD11128996 |
| Molecular Formula | C8H13NO4 |
| Molecular Weight | 187.1931 |
| SMILES | COC(N1CC(C(O)=O)CCC1)=O |
| Synonyms | 1-(methoxycarbonyl)piperidine-3-carboxylic acid,
1019363-10-0,
SCHEMBL1420981,
AKOS000204190,
AKOS016896961,
MCULE-8767213772,
EN300-69787,
L-4621,
F2158-1183,
1-methoxycarbonylpiperidine-3-carboxylic acid,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.195g/mol |
| Monoisotopic Mass | 187.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number