| CAS Number | 56674-68-1 |
| Catalog Number | AG00IA3X(AGN-PC-00O2EB) |
| Chemical Name | 2-(Cyclohexyloxy)propanoic acid |
| IUPAC Name | 2-cyclohexyloxypropanoic acid |
| InChI | InChI=1S/C9H16O3/c1-7(9(10)11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | XXSOJJJQCLCSPI-UHFFFAOYSA-N |
| MDL Number | MFCD12145311 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(C(O)=O)OC1CCCCC1 |
| Synonyms | 2-(cyclohexyloxy)propanoic acid,
56674-68-1,
SCHEMBL2781270,
Propanoic acid, 2-(cyclohexyloxy)-,
MFCD12145311,
AKOS009167667,
MCULE-3390289519,
NE57199,
EN300-76618,
Z1270312194,
|
| Complexity | 150 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number