| CAS Number | 1016699-66-3 |
| Catalog Number | AG019UO0(AGN-PC-0WO6P5) |
| Chemical Name | 2-(2-oxoazocan-1-yl)acetic acid |
| IUPAC Name | 2-(2-oxoazocan-1-yl)acetic acid |
| InChI | InChI=1S/C9H15NO3/c11-8-5-3-1-2-4-6-10(8)7-9(12)13/h1-7H2,(H,12,13) |
| InChI Key | LCYQGLJBTMBDSC-UHFFFAOYSA-N |
| MDL Number | MFCD09803625 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | OC(CN1C(=O)CCCCCC1)=O |
| Synonyms | 2-(2-oxoazocan-1-yl)acetic acid,
1016699-66-3,
AC1Q75VZ,
SCHEMBL11036951,
CTK7J5034,
ZINC19403794,
AKOS000162282,
MCULE-5316467172,
NE14466,
EN300-42261,
AB01002302-01,
Z426041642,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number