| CAS Number | 14035-71-3 |
| Catalog Number | AG01C929 |
| Chemical Name | 3-ethylpent-4-enoic acid |
| IUPAC Name | 3-ethylpent-4-enoic acid |
| InChI | InChI=1S/C7H12O2/c1-3-6(4-2)5-7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9) |
| InChI Key | UHLNDYACVPPMJT-UHFFFAOYSA-N |
| MDL Number | MFCD19228773 |
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.169 |
| SMILES | CCC(C=C)CC(O)=O |
| Synonyms | 3-ethylpent-4-enoic acid,
14035-71-3,
SCHEMBL614027,
AKOS006380915,
|
| Complexity | 108 |
| 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 | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number