| CAS Number | 1798716-06-9 |
| Catalog Number | AG01BELH |
| Chemical Name | phenyl 4-oxoazepane-1-carboxylate |
| IUPAC Name | phenyl 4-oxoazepane-1-carboxylate |
| InChI | InChI=1S/C13H15NO3/c15-11-5-4-9-14(10-8-11)13(16)17-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2 |
| InChI Key | OYLUXASXYAJKQB-UHFFFAOYSA-N |
| MDL Number | MFCD28064090 |
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.2631 |
| SMILES | O=C(N1CCC(=O)CCC1)OC1=CC=CC=C1 |
| Synonyms | phenyl 4-oxoazepane-1-carboxylate,
1798716-06-9,
ZINC98095732,
AKOS033643685,
Z1881599089,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.267g/mol |
| Monoisotopic Mass | 233.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number