| CAS Number | 16386-97-3 |
| Catalog Number | AG019TW0(AGN-PC-0Q8II3) |
| Chemical Name | 2-Cyclohexyl-2-methylpropanoic acid |
| IUPAC Name | 2-cyclohexyl-2-methylpropanoic acid |
| InChI | InChI=1S/C10H18O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | LQTWWEVXGRFIDW-UHFFFAOYSA-N |
| MDL Number | MFCD19301319 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | CC(C)(C1CCCCC1)C(O)=O |
| Synonyms | 2-cyclohexyl-2-methylpropanoic acid,
16386-97-3,
NE51015,
FT-0749532,
F8889-4798,
Z1558210194,
CID177742,
2-cyclohexyl-2-methyl-propanoic Acid,
Cyclohexaneacetic acid, alpha,alpha-dimethyl-,
AC1L42XK,
SCHEMBL1876976,
DTXSID60167668,
LQTWWEVXGRFIDW-UHFFFAOYSA-N,
ZINC31494971,
AKOS017514723,
MCULE-8377291972,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number