| CAS Number | 911113-66-1 |
| Catalog Number | AG01DSTO(AGN-PC-0547VC) |
| Chemical Name | 2-(1-Acetamidocyclohexyl)acetic Acid |
| IUPAC Name | 2-(1-acetamidocyclohexyl)acetic acid |
| InChI | InChI=1S/C10H17NO3/c1-8(12)11-10(7-9(13)14)5-3-2-4-6-10/h2-7H2,1H3,(H,11,12)(H,13,14) |
| InChI Key | FYNNGABVXCECAI-UHFFFAOYSA-N |
| MDL Number | MFCD11048453 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | CC(NC1(CCCCC1)CC(O)=O)=O |
| Synonyms | (1-Acetylamino-cyclohexyl)-acetic acid,
911113-66-1,
2-(1-Acetamidocyclohexyl)acetic acid,
SCHEMBL3369935,
CTK7J1973,
FYNNGABVXCECAI-UHFFFAOYSA-N,
(1-acetamidocyclohexyl)acetic acid,
ZINC13483529,
AKOS000302515,
MCULE-1771474078,
TR-055910,
N/A,
|
| Complexity | 232 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number