| CAS Number | 903094-62-2 |
| Catalog Number | AG01B67M |
| Chemical Name | 3-({[(tert-butoxy)carbonyl]amino}methyl)furan-2-carboxylic acid |
| IUPAC Name | 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-carboxylic acid |
| InChI | InChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-7-4-5-16-8(7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14) |
| InChI Key | POUPISGHUIBHFV-UHFFFAOYSA-N |
| MDL Number | MFCD06657478 |
| Molecular Formula | C11H15NO5 |
| Molecular Weight | 241.2405 |
| SMILES | CC(OC(NCC1=C(C(O)=O)OC=C1)=O)(C)C |
| Synonyms | 903094-62-2,
3-(tert-Butoxycarbonylamino-methyl)-furan-2-carboxylic acid,
3-({[(tert-butoxy)carbonyl]amino}methyl)furan-2-carboxylic acid,
CTK7G9244,
MFCD06657478,
ZINC22014298,
T57161,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.243g/mol |
| Monoisotopic Mass | 241.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number