| CAS Number | 1803600-14-7 |
| Catalog Number | AG01BFJJ |
| Chemical Name | 4-phenylazepan-4-ol; oxalic acid |
| IUPAC Name | oxalic acid;4-phenylazepan-4-ol |
| InChI | InChI=1S/C12H17NO.C2H2O4/c14-12(7-4-9-13-10-8-12)11-5-2-1-3-6-11;3-1(4)2(5)6/h1-3,5-6,13-14H,4,7-10H2;(H,3,4)(H,5,6) |
| InChI Key | WQXYRSLAXYFPRI-UHFFFAOYSA-N |
| MDL Number | MFCD28118619 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | OC(C(O)=O)=O.OC1(C2=CC=CC=C2)CCNCCC1 |
| Synonyms | 4-phenylazepan-4-ol oxalic acid,
1803600-14-7,
4-phenylazepan-4-ol; oxalic acid,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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