| CAS Number | 155501-28-3 |
| Catalog Number | AG01A28T(AGN-PC-0WOBAA) |
| Chemical Name | 2-(2,2-Dimethylcyclohexyl)acetic acid |
| IUPAC Name | 2-(2,2-dimethylcyclohexyl)acetic acid |
| InChI | InChI=1S/C10H18O2/c1-10(2)6-4-3-5-8(10)7-9(11)12/h8H,3-7H2,1-2H3,(H,11,12) |
| InChI Key | RHVNWUGLRKWUDG-UHFFFAOYSA-N |
| MDL Number | MFCD20641467 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | CC1(C(CC(O)=O)CCCC1)C |
| Synonyms | 2-(2,2-dimethylcyclohexyl)acetic acid,
155501-28-3,
AKOS017531089,
MCULE-6771932074,
NE27777,
Z1501469798,
|
| Complexity | 173 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number