| CAS Number | 926201-50-5 |
| Catalog Number | AG019LBL |
| Chemical Name | 1-(Furan-3-carbonyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(furan-3-carbonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H13NO4/c13-10(9-3-6-16-7-9)12-4-1-8(2-5-12)11(14)15/h3,6-8H,1-2,4-5H2,(H,14,15) |
| InChI Key | TTXZODPRVFRDKB-UHFFFAOYSA-N |
| MDL Number | MFCD09043394 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | OC(C1CCN(C(C2=COC=C2)=O)CC1)=O |
| Synonyms | 1-(furan-3-carbonyl)piperidine-4-carboxylic acid,
926201-50-5,
1-(3-furoyl)piperidine-4-carboxylic acid,
AC1Q74LG,
CTK7I9984,
ZINC20281591,
AKOS000127568,
MCULE-4971433560,
NE41086,
NCGC00327441-01,
EN300-30714,
AB01322355-02,
1-[(furan-3-yl)carbonyl]piperidine-4-carboxylic acid,
Z425389536,
|
| Complexity | 284 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number