| CAS Number | 90646-25-6 |
| Catalog Number | AG01BH5J(AGN-PC-0008S5) |
| Chemical Name | 2-ethylcyclohexane-1-carboxylic acid |
| IUPAC Name | 2-ethylcyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C9H16O2/c1-2-7-5-3-4-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11) |
| InChI Key | BYSURPXRUHUJMH-UHFFFAOYSA-N |
| MDL Number | MFCD18901695 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CCC1C(C(O)=O)CCCC1 |
| Synonyms | 2-ethylcyclohexane-1-carboxylic acid,
90646-25-6,
SCHEMBL12942860,
AKOS013175116,
Z1973465734,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number