| CAS Number | 519050-83-0 |
| Catalog Number | AG01AHWO(AGN-PC-042Y3J) |
| Chemical Name | 2-[(2-methylcyclohexyl)oxy]acetic acid |
| IUPAC Name | 2-(2-methylcyclohexyl)oxyacetic acid |
| InChI | InChI=1S/C9H16O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | BASUHQLZULYDMP-UHFFFAOYSA-N |
| MDL Number | MFCD09948378 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | O=C(COC1CCCCC1C)O |
| Synonyms | 2-[(2-methylcyclohexyl)oxy]acetic acid,
519050-83-0,
SCHEMBL6744618,
AKOS000193779,
AKOS016903988,
MCULE-2149192016,
NE39685,
EN300-76026,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number