| CAS Number | 1019353-19-5 |
| Catalog Number | AG009MZ5(AGN-PC-0WCAY9) |
| Chemical Name | 2-(Cyclohexyloxy)isonicotinic acid |
| IUPAC Name | 2-cyclohexyloxypyridine-4-carboxylic acid |
| InChI | InChI=1S/C12H15NO3/c14-12(15)9-6-7-13-11(8-9)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15) |
| InChI Key | FSXGMVHSSOAENQ-UHFFFAOYSA-N |
| MDL Number | MFCD09258836 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | OC(C1=CC(OC2CCCCC2)=NC=C1)=O |
| Synonyms | 2-(Cyclohexyloxy)isonicotinic acid,
1019353-19-5,
2-(Cyclohexyloxy)pyridine-4-carboxylic acid,
KS-00003TLO,
DTXSID30651347,
7494AC,
MFCD09258836,
SBB052851,
ZINC19812884,
AKOS000206081,
MCULE-6907875854,
NE29531,
2-cyclohexyloxypyridine-4-carboxylic acid,
TS-03166,
4-pyridinecarboxylic acid,2-(cyclohexyloxy)-,
Z1582263055,
C12H15NO3,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number