| CAS Number | 1025450-05-8 |
| Catalog Number | AG008TPZ(AGN-PC-0WC2G7) |
| Chemical Name | 1-(Furan-2-carbonyl)piperidine-2-carboxylic acid |
| IUPAC Name | 1-(furan-2-carbonyl)piperidine-2-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c13-10(9-5-3-7-16-9)12-6-2-1-4-8(12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15) |
| InChI Key | ZNIKCBOCEIJMLK-UHFFFAOYSA-N |
| MDL Number | MFCD08444976 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CO2 |
| Synonyms | 1-(furan-2-carbonyl)piperidine-2-carboxylic acid,
1025450-05-8,
1-(2-FUROYL)PIPERIDINE-2-CARBOXYLIC ACID,
1-(furan-2-ylcarbonyl)piperidine-2-carboxylic acid,
1-(2-Furoyl)-2-piperidinecarboxylic acid,
AC1Q74GJ,
SCHEMBL15347856,
CTK7I9179,
AKOS000130029,
AKOS017272411,
MCULE-3525950668,
NE30571,
TR-066068,
EN300-52116,
J-503553,
Z85895912,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number