| CAS Number | 854508-16-0 |
| Catalog Number | AG019LAH |
| Chemical Name | 1-(furan-3-carbonyl)piperidine-3-carboxylic Acid |
| IUPAC Name | 1-(furan-3-carbonyl)piperidine-3-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h3,5,7-8H,1-2,4,6H2,(H,14,15) |
| InChI Key | PNJBBPYLWPPKSM-UHFFFAOYSA-N |
| MDL Number | MFCD09047267 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | OC(C1CN(C(C2=COC=C2)=O)CCC1)=O |
| Synonyms | 1-(furan-3-carbonyl)piperidine-3-carboxylic Acid,
854508-16-0,
1-(3-furoyl)piperidine-3-carboxylic acid,
AC1MQH1L,
AC1Q74HM,
CTK7I9382,
AKOS000131144,
AKOS016900790,
MCULE-9341716331,
NE61781,
NCGC00339124-01,
EN300-30603,
AB01331147-02,
Z315974702,
CID3476643,
|
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number