| CAS Number | 4854-47-1 |
| Catalog Number | AG019VT5(AGN-PC-0WO1DE) |
| Chemical Name | 1-Acetamidocyclohexane-1-carboxylic acid |
| IUPAC Name | 1-acetamidocyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C9H15NO3/c1-7(11)10-9(8(12)13)5-3-2-4-6-9/h2-6H2,1H3,(H,10,11)(H,12,13) |
| InChI Key | APYLGUGGCARYFQ-UHFFFAOYSA-N |
| MDL Number | MFCD09933315 |
| Molecular Formula | C9H15NO3 |
| Molecular Weight | 185.2203 |
| SMILES | CC(NC1(C(O)=O)CCCCC1)=O |
| Synonyms | 1-acetamidocyclohexane-1-carboxylic Acid,
4854-47-1,
1-(Acetylamino)cyclohexanecarboxylic acid,
AC1Q1KH1,
SCHEMBL3704763,
CTK7I5815,
MFCD09933315,
ZINC19437498,
AKOS000175199,
MCULE-5643490570,
NE26922,
EN300-49111,
AB00988011-01,
Z85888094,
CID11672793,
|
| Complexity | 219 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.223g/mol |
| Monoisotopic Mass | 185.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number