| CAS Number | 38446-92-3 |
| Catalog Number | AG00KAIU(AGN-PC-0WO25U) |
| Chemical Name | 5-(Hydroxymethyl)azepan-2-one |
| IUPAC Name | 5-(hydroxymethyl)azepan-2-one |
| InChI | InChI=1S/C7H13NO2/c9-5-6-1-2-7(10)8-4-3-6/h6,9H,1-5H2,(H,8,10) |
| InChI Key | XGNJOEURYURXAW-UHFFFAOYSA-N |
| MDL Number | MFCD26936290 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | OCC1CCC(=O)NCC1 |
| Synonyms | 5-(hydroxymethyl)azepan-2-one,
38446-92-3,
AKOS023777814,
F8880-3588,
Z2230911478,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number