| CAS Number | 856357-77-2 |
| Catalog Number | AG018S8G(AGN-PC-0WBPT9) |
| Chemical Name | 2-[(3-Methylcyclohexyl)oxy]acetic acid |
| IUPAC Name | 2-(3-methylcyclohexyl)oxyacetic acid |
| InChI | InChI=1S/C9H16O3/c1-7-3-2-4-8(5-7)12-6-9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | IWUPRZKKCJLIEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11196133 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC1CC(OCC(O)=O)CCC1 |
| Synonyms | 2-[(3-methylcyclohexyl)oxy]acetic acid,
856357-77-2,
SCHEMBL11783774,
AKOS009256206,
MCULE-3536391684,
NE44020,
EN300-75687,
[(3-Methylcyclohexyl)oxy]acetic acid, AldrichCPR,
F8889-0740,
Z1259339799,
|
| 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