| CAS Number | 161089-94-7 |
| Catalog Number | AG01AI45(AGN-PC-0WO7PN) |
| Chemical Name | 2-(Cyclohexylmethyl)pentanoic acid |
| IUPAC Name | 2-(cyclohexylmethyl)pentanoic acid |
| InChI | InChI=1S/C12H22O2/c1-2-6-11(12(13)14)9-10-7-4-3-5-8-10/h10-11H,2-9H2,1H3,(H,13,14) |
| InChI Key | QFRLVQNKXUNDHJ-UHFFFAOYSA-N |
| MDL Number | MFCD12794577 |
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.3019 |
| SMILES | CCCC(C(O)=O)CC1CCCCC1 |
| Synonyms | 2-(cyclohexylmethyl)pentanoic acid,
161089-94-7,
SCHEMBL5515416,
AKOS008145316,
MCULE-6923742905,
NE27060,
EN300-76699,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.306g/mol |
| Monoisotopic Mass | 198.162g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number