| CAS Number | 55751-60-5 |
| Catalog Number | AG00E678 |
| Chemical Name | 2-(CYCLOHEXYLOXY)-BENZOIC ACID |
| IUPAC Name | 2-cyclohexyloxybenzoic acid |
| InChI | InChI=1S/C13H16O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,14,15) |
| InChI Key | WKZMKIVYWDNOJL-UHFFFAOYSA-N |
| MDL Number | MFCD11156584 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | O(c1c(C(=O)O)cccc1)C1CCCCC1 |
| Synonyms | 2-(Cyclohexyloxy)-benzoic acid,
55751-60-5,
2-(cyclohexyloxy)benzoic acid,
cyclohexylsalicylic acid,
SCHEMBL300806,
ZINC20080343,
AKOS000264212,
MCULE-2204897785,
NE44317,
EN300-85166,
Z1258578377,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number