| CAS Number | 99799-04-9 |
| Catalog Number | AG003W7X(AGN-PC-0WBS93) |
| Chemical Name | (E)-3,4,4-Trimethylpent-2-enoic acid |
| IUPAC Name | 3,4,4-trimethylpent-2-enoic acid |
| InChI | InChI=1S/C8H14O2/c1-6(5-7(9)10)8(2,3)4/h5H,1-4H3,(H,9,10) |
| InChI Key | NFLSFCFOAOZXFO-UHFFFAOYSA-N |
| MDL Number | MFCD11172805 |
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.1956 |
| SMILES | CC(=C/C(O)=O)C(C)(C)C |
| Synonyms | 3,4,4-trimethylpent-2-enoic acid,
(E)-3,4,4-Trimethylpent-2-enoic acid,
99799-04-9,
ACMC-209se3,
CTK5I0697,
DTXSID60709087,
ANW-41065,
AKOS030232025,
MCULE-6247723647,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.198g/mol |
| Monoisotopic Mass | 142.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number