| CAS Number | 15249-93-1 |
| Catalog Number | AG019ZXO(AGN-PC-0NJDGR) |
| Chemical Name | Ethyl 3-ethylpent-2-enoate |
| IUPAC Name | ethyl 3-ethylpent-2-enoate |
| InChI | InChI=1S/C9H16O2/c1-4-8(5-2)7-9(10)11-6-3/h7H,4-6H2,1-3H3 |
| InChI Key | HULZRAVBXKKDEB-UHFFFAOYSA-N |
| MDL Number | MFCD27945223 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | CCOC(/C=C(CC)/CC)=O |
| Synonyms | Ethyl 3-ethylpent-2-enoate,
15249-93-1,
2-Pentenoic acid, 3-ethyl-, ethyl ester,
SCHEMBL354027,
CTK0E8181,
DTXSID70502228,
ZINC39245619,
3-ethyl-2-pentenoic acid ethyl ester,
AKOS033322282,
MCULE-3388444808,
Z1414873487,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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