| CAS Number | 600716-77-6 |
| Catalog Number | AG01A397(AGN-PC-02IJ73) |
| Chemical Name | 3-Ethyl-2-methylpentanoic acid |
| IUPAC Name | 3-ethyl-2-methylpentanoic acid |
| InChI | InChI=1S/C8H16O2/c1-4-7(5-2)6(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
| InChI Key | APZRHSSXERCEFU-UHFFFAOYSA-N |
| MDL Number | MFCD22628546 |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.2114 |
| SMILES | CCC(C(C(O)=O)C)CC |
| Synonyms | 3-ethyl-2-methylpentanoic acid,
600716-77-6,
SCHEMBL940382,
AKOS018286960,
NE34773,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.214g/mol |
| Monoisotopic Mass | 144.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number