| CAS Number | 177025-66-0 |
| Catalog Number | AG019X0A(AGN-PC-04VWG1) |
| Chemical Name | 4-(Cyclohexylmethoxy)benzoic acid |
| IUPAC Name | 4-(cyclohexylmethoxy)benzoic acid |
| InChI | InChI=1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,15,16) |
| InChI Key | VVAQLOMOWIACOF-UHFFFAOYSA-N |
| MDL Number | MFCD11115504 |
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.2909 |
| SMILES | OC(C1=CC=C(OCC2CCCCC2)C=C1)=O |
| Synonyms | 4-(cyclohexylmethoxy)benzoic acid,
177025-66-0,
AC1Q73GE,
SCHEMBL1532841,
4-cyclohexylmethoxy-benzoic acid,
4-cyclohexylmethyloxybenzoic acid,
VVAQLOMOWIACOF-UHFFFAOYSA-N,
ZINC19990429,
AKOS008087294,
MCULE-1537940882,
NE14928,
NCGC00325687-01,
DA-09204,
FT-0726259,
EN300-53685,
AB01197172-03,
|
| 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 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number