| CAS Number | 436093-09-3 |
| Catalog Number | AG019KLJ(AGN-PC-0WC2G8) |
| Chemical Name | 1-(furan-2-carbonyl)piperidine-3-carboxylic Acid |
| IUPAC Name | 1-(furan-2-carbonyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c13-10(9-4-2-6-16-9)12-5-1-3-8(7-12)11(14)15/h2,4,6,8H,1,3,5,7H2,(H,14,15) |
| InChI Key | JJTYFIFTNRNBSS-UHFFFAOYSA-N |
| MDL Number | MFCD02678422 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | OC(C1CN(C(C2OC=CC=2)=O)CCC1)=O |
| Synonyms | 1-(furan-2-carbonyl)piperidine-3-carboxylic Acid,
1-(2-Furoyl)-3-piperidinecarboxylic acid,
436093-09-3,
1-(2-furoyl)piperidine-3-carboxylic acid,
AC1NFTE0,
AC1Q74HG,
Oprea1_006979,
SCHEMBL2636628,
CTK7I9375,
AKOS000128898,
AKOS017272204,
MCULE-3052150695,
NE61988,
TR-066069,
EN300-27415,
1-(2-furoyl)piperidine-3-carboxylic acid, AldrichCPR,
Z85893785,
CID4713638,
|
| 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 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number