| CAS Number | 143619-73-2 |
| Catalog Number | AG01BBR2(AGN-PC-0MWVFW) |
| Chemical Name | 1-(Pyridin-3-yl)cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-pyridin-3-ylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C12H15NO2/c14-11(15)12(6-2-1-3-7-12)10-5-4-8-13-9-10/h4-5,8-9H,1-3,6-7H2,(H,14,15) |
| InChI Key | XIRMOGUBQMRKQG-UHFFFAOYSA-N |
| MDL Number | MFCD23924183 |
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.2530 |
| SMILES | OC(C1(C2=CN=CC=C2)CCCCC1)=O |
| Synonyms | 1-(pyridin-3-yl)cyclohexane-1-carboxylic acid,
143619-73-2,
Cyclohexanecarboxylic acid, 1-(3-pyridinyl)-,
SCHEMBL17896072,
ZINC34061621,
AKOS019087097,
Z2510258084,
CID9990533,
1-pyridin-3-ylcyclohexane-1-carboxylic Acid,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.257g/mol |
| Monoisotopic Mass | 205.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number