| CAS Number | 110604-57-4 |
| Catalog Number | AG01AIDV(AGN-PC-0P0VQE) |
| Chemical Name | 2-(Cyclohexylmethyl)butanoic acid |
| IUPAC Name | 2-(cyclohexylmethyl)butanoic acid |
| InChI | InChI=1S/C11H20O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,12,13) |
| InChI Key | GDZWTZDSOFTWKE-UHFFFAOYSA-N |
| MDL Number | MFCD12794552 |
| Molecular Formula | C11H20O2 |
| Molecular Weight | 184.2753 |
| SMILES | CCC(C(O)=O)CC1CCCCC1 |
| Synonyms | 2-(cyclohexylmethyl)butanoic acid,
110604-57-4,
2-cyclohexylmethyl-butyric acid,
SCHEMBL2484332,
AKOS008145315,
MCULE-1014366537,
NE25105,
EN300-77524,
A1-09997,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.279g/mol |
| Monoisotopic Mass | 184.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number