| CAS Number | 1017026-13-9 |
| Catalog Number | AG01ACE8(AGN-PC-0WOAO8) |
| Chemical Name | 2-[(2-ethylcyclohexyl)oxy]acetic acid |
| IUPAC Name | 2-(2-ethylcyclohexyl)oxyacetic acid |
| InChI | InChI=1S/C10H18O3/c1-2-8-5-3-4-6-9(8)13-7-10(11)12/h8-9H,2-7H2,1H3,(H,11,12) |
| InChI Key | FHYDVIGWMAEWKW-UHFFFAOYSA-N |
| MDL Number | MFCD09951036 |
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.2481 |
| SMILES | CCC1C(OCC(O)=O)CCCC1 |
| Synonyms | 2-[(2-ethylcyclohexyl)oxy]acetic acid,
1017026-13-9,
AKOS000197049,
AKOS022482958,
MCULE-4174544329,
NE25550,
Z1696871252,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.251g/mol |
| Monoisotopic Mass | 186.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number