| CAS Number | 80003-58-3 |
| Catalog Number | AG01B8YF(AGN-PC-0A8WTA) |
| Chemical Name | 2-oxohex-5-enoic acid |
| IUPAC Name | 2-oxohex-5-enoic acid |
| InChI | InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h2H,1,3-4H2,(H,8,9) |
| InChI Key | SRSUTBIWADPHRS-UHFFFAOYSA-N |
| MDL Number | MFCD19228661 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | OC(C(CCC=C)=O)=O |
| Synonyms | 2-oxohex-5-enoic acid,
80003-58-3,
SCHEMBL7199512,
ZINC13525816,
AKOS006380161,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number