| CAS Number | 1055879-22-5 |
| Catalog Number | AG01ELJB |
| Chemical Name | 2,3,4,5-Tetrahydrobenzo[F][1,4]Oxazepine-9-Carboxylic Acid Hydrochloride |
| IUPAC Name | 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H11NO3.ClH/c12-10(13)8-3-1-2-7-6-11-4-5-14-9(7)8;/h1-3,11H,4-6H2,(H,12,13);1H |
| InChI Key | MNRQVSJCUNAEIA-UHFFFAOYSA-N |
| MDL Number | MFCD31433984 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | Cl.O1CCNCC2=C1C(=CC=C2)C(=O)O |
| Synonyms | 2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid hydrochloride,
SCHEMBL3276373,
MNRQVSJCUNAEIA-UHFFFAOYSA-N,
1055879-22-5,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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