| CAS Number | 79930-59-9 |
| Catalog Number | AG019ZP6(AGN-PC-0NK4GL) |
| Chemical Name | 3-Ethylpent-2-enoic acid |
| IUPAC Name | 3-ethylpent-2-enoic acid |
| InChI | InChI=1S/C7H12O2/c1-3-6(4-2)5-7(8)9/h5H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | LKHHEMHSIKGIBO-UHFFFAOYSA-N |
| MDL Number | MFCD11172807 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.1690 |
| SMILES | CC/C(/CC)=C/C(O)=O |
| Synonyms | 3-ethylpent-2-enoic acid,
3-ethyl-2-pentenoic acid,
79930-59-9,
SCHEMBL4342966,
LKHHEMHSIKGIBO-UHFFFAOYSA-N,
ZINC20259871,
AKOS009220969,
MCULE-1347248467,
NE21514,
RP19797,
38972-67-7,
|
| Complexity | 119 |
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number