| CAS Number | 61516-76-5 |
| Catalog Number | AG00ECHJ(AGN-PC-0LNT5B) |
| Chemical Name | Ethyl 2-(2-oxoazepan-1-yl)acetate |
| IUPAC Name | ethyl 2-(2-oxoazepan-1-yl)acetate |
| InChI | InChI=1S/C10H17NO3/c1-2-14-10(13)8-11-7-5-3-4-6-9(11)12/h2-8H2,1H3 |
| InChI Key | DUMIQCQZFWRSNQ-UHFFFAOYSA-N |
| MDL Number | MFCD06360129 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | CCOC(CN1C(=O)CCCCC1)=O |
| Synonyms | ethyl (2-oxoazepan-1-yl)acetate,
61516-76-5,
ethyl 2-(2-oxoazepan-1-yl)acetate,
AC1NQ3QE,
AC1Q34VH,
SCHEMBL6495319,
CTK5B3363,
DTXSID90409104,
Ethyl (2-oxoazepane-1-yl)acetate,
HMS1728I04,
ZINC3888001,
MFCD06360129,
AKOS005198842,
MCULE-6225496676,
NE17510,
EN300-10036,
J-520470,
Z56347128,
ZINC03888001,
CID5169132,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number