| CAS Number | 37637-20-0 |
| Catalog Number | AG00CKZF(AGN-PC-0NI8Y9) |
| Chemical Name | AZEPAN-2,5-DIONE |
| IUPAC Name | azepane-2,5-dione |
| InChI | InChI=1S/C6H9NO2/c8-5-1-2-6(9)7-4-3-5/h1-4H2,(H,7,9) |
| InChI Key | LXHOPZDMESSDCP-UHFFFAOYSA-N |
| MDL Number | MFCD11870223 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | N1C(CCC(CC1)=O)=O |
| Synonyms | Azepane-2,5-dione,
37637-20-0,
1H-Azepine-2,5-dione,tetrahydro-,
Azepan-2,5-dione,
SCHEMBL1555858,
Hexahydro-1H-azepine-2,5-dione,
3823AJ,
ZINC39191445,
AKOS006347695,
AJ-98934,
FT-0764487,
Z-7910,
C6H9NO2,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.143g/mol |
| Monoisotopic Mass | 127.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
Lot Number