| CAS Number | 178269-53-9 |
| Catalog Number | AG01C1V8(AGN-PC-01YZQ7) |
| Chemical Name | 4-methyl-2-propylpentanoic acid |
| IUPAC Name | 4-methyl-2-propylpentanoic acid |
| InChI | InChI=1S/C9H18O2/c1-4-5-8(9(10)11)6-7(2)3/h7-8H,4-6H2,1-3H3,(H,10,11) |
| InChI Key | CYNQKJPFHUKKSF-UHFFFAOYSA-N |
| MDL Number | MFCD12794535 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CCCC(C(O)=O)CC(C)C |
| Synonyms | 4-methyl-2-propylpentanoic acid,
178269-53-9,
SCHEMBL2491997,
Pentanoic acid,4-methyl-2-propyl,
pentanoic acid,4-methyl-2-propyl-,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number