| CAS Number | 32557-37-2 |
| Catalog Number | AG01AF5D(AGN-PC-0R7U97) |
| Chemical Name | 3,4-dimethylpent-2-enoic acid |
| IUPAC Name | 3,4-dimethylpent-2-enoic acid |
| InChI | InChI=1S/C7H12O2/c1-5(2)6(3)4-7(8)9/h4-5H,1-3H3,(H,8,9) |
| InChI Key | BLROLNSSBGCUAD-UHFFFAOYSA-N |
| MDL Number | MFCD11172834 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.169 |
| SMILES | CC(C(C)=CC(O)=O)C |
| Synonyms | 3,4-dimethylpent-2-enoic acid,
32557-37-2,
3,4-dimethyl-2-pentenoic acid,
SCHEMBL4826203,
BLROLNSSBGCUAD-UHFFFAOYSA-N,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.171g/mol |
| Monoisotopic Mass | 128.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number