| CAS Number | 1262406-85-8 |
| Catalog Number | AG00HRFC(AGN-PC-0WOFFG) |
| Chemical Name | 3-([(Benzyloxy)carbonyl]amino)oxolane-3-carboxylic acid |
| IUPAC Name | 3-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid |
| InChI | InChI=1S/C13H15NO5/c15-11(16)13(6-7-18-9-13)14-12(17)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)(H,15,16) |
| InChI Key | HDPOINUGZWATFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18375005 |
| Molecular Formula | C13H15NO5 |
| Molecular Weight | 265.2619 |
| SMILES | OC(C1(NC(OCC2=CC=CC=C2)=O)COCC1)=O |
| Synonyms | 1262406-85-8,
3-{[(benzyloxy)carbonyl]amino}oxolane-3-carboxylic acid,
3-(((Benzyloxy)carbonyl)amino)tetrahydrofuran-3-carboxylic acid,
SCHEMBL20179421,
MFCD18375005,
AKOS013463984,
NE46122,
F8887-2864,
3-(benzyloxycarbonylamino)-tetrahydrofuran-3-carboxylic acid,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.265g/mol |
| Monoisotopic Mass | 265.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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