| CAS Number | 5692-62-6 |
| Catalog Number | AG01C16F(AGN-PC-00FAMR) |
| Chemical Name | 4-Methyl-2- (2-methylpropyl)pentanoic acid |
| IUPAC Name | 4-methyl-2-(2-methylpropyl)pentanoic acid |
| InChI | InChI=1S/C10H20O2/c1-7(2)5-9(10(11)12)6-8(3)4/h7-9H,5-6H2,1-4H3,(H,11,12) |
| InChI Key | NWOZQMMUMYBPML-UHFFFAOYSA-N |
| MDL Number | MFCD12794526 |
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.2646 |
| SMILES | CC(CC(C(=O)O)CC(C)C)C |
| Synonyms | 4-methyl-2-(2-methylpropyl)pentanoic Acid,
5692-62-6,
di-isobutylacetic acid,
SCHEMBL276879,
ZINC36404360,
AKOS010364942,
Z2235810273,
2-isobutyl-4-methylpentanoic acid,
CID11745096,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.268g/mol |
| Monoisotopic Mass | 172.146g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number