| CAS Number | 66500-40-1 |
| Catalog Number | AG00IBLW(AGN-PC-02KCD3) |
| Chemical Name | 4-(BENZYLOXY)CYCLOHEXANECARBOXYLIC ACID |
| IUPAC Name | 4-phenylmethoxycyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16) |
| InChI Key | CIHKUOPEMAFMJE-UHFFFAOYSA-N |
| MDL Number | MFCD18909176 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | OC(=O)C1CCC(CC1)OCC1=CC=CC=C1 |
| Synonyms | 4-(BENZYLOXY)CYCLOHEXANECARBOXYLIC ACID,
66500-40-1,
SCHEMBL2278661,
SCHEMBL19515095,
CIHKUOPEMAFMJE-UHFFFAOYSA-N,
MFCD18909176,
ZINC96028781,
4-benzyloxy-cyclohexanecarboxylic acid,
AKOS023764723,
4-benzyloxycyclohexane-1-carboxylic acid,
AS-42545,
Cyclohexanecarboxylic acid, 4-(phenylmethoxy)-,
Trans-4-(benzyloxy)cyclohexane-1-carboxylic acid,
4beta-(Benzyloxy)cyclohexane-1beta-carboxylic acid,
4alpha-(Benzyloxy)cyclohexane-1beta-carboxylic acid,
1558003-77-2,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.295g/mol |
| Monoisotopic Mass | 234.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number