9-Deoxyclavulanic acid
(3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 9-Deoxyclavulanic acid|9-Deocla|(3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|4-Oxa-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-ethylidene-7-oxo-, (2R-(2alpha,3Z,5alpha))-
CAS: 69779-62-0
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05316 g/mol |
| LogP | -0.068 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.05316 |
| Monoisotopic Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 309.2659 |
Chemical Identifiers
| CAS Number | 69779-62-0 |
|---|---|
| SMILES | C/C=C\1/C(N2C(O1)CC2=O)C(=O)O |
Product Overview
9-Deoxyclavulanic acid (CAS 69779-62-0), with molecular formula C8H9NO4 and molecular weight 183.05316 g/mol. IUPAC: (3Z)-3-ethylidene-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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