| CAS Number | 1803583-24-5 |
| Catalog Number | AG01B7YQ |
| Chemical Name | 3-(benzylamino)oxolane-3-carboxylic acid hydrochloride |
| IUPAC Name | 3-(benzylamino)oxolane-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C12H15NO3.ClH/c14-11(15)12(6-7-16-9-12)13-8-10-4-2-1-3-5-10;/h1-5,13H,6-9H2,(H,14,15);1H |
| InChI Key | FJLGIWLHBPXDEU-UHFFFAOYSA-N |
| MDL Number | MFCD28145568 |
| Molecular Formula | C12H16ClNO3 |
| Molecular Weight | 257.7133 |
| SMILES | Cl.OC(C1(NCC2=CC=CC=C2)COCC1)=O |
| Synonyms | 3-(benzylamino)oxolane-3-carboxylic acid hydrochloride,
1803583-24-5,
Z1992316326,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.714g/mol |
| Monoisotopic Mass | 257.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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