3-Chlorolevulinic acid
3-chloro-4-oxopentanoic acid
Also Known As: 3-Chlorolevulinic acid|3-chloro-4-oxopentanoic acid|Pentanoic acid, 3-chloro-4-oxo-|3-chloro-4-oxo-valeric acid
CAS: 77012-53-4
| Molecular Formula | C5H7ClO3 |
|---|---|
| Molecular Weight | 150.00838 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.00838 |
| Monoisotopic Mass | 150.00838 |
| Heavy Atoms | 9 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 77012-53-4 |
|---|---|
| SMILES | CC(=O)C(CC(=O)O)Cl |
| InChIKey | VDXVPHGHELUOLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (5 patents)
Organic Building Blocks (12 patents)
Product Overview
3-Chlorolevulinic acid (CAS 77012-53-4), with molecular formula C5H7ClO3 and molecular weight 150.00838 g/mol. IUPAC: 3-chloro-4-oxopentanoic 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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