Methyl 3-(5-acetyl-2,2-dimethyl-2H-1,3-dioxol-4-yl)propanoate
Basic information
- CAS
923590-94-7- Standard SMILES
COC(=O)CCC1=C(C(C)=O)OC(C)(C)O1- InChIKey
YWOJPEGBZQVELP-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- Methyl 3-(5-acetyl-2,2-dimethyl-2H-1,3-dioxol-4-yl)propanoate
- IUPAC
- methyl 3-(5-acetyl-2,2-dimethyl-1,3-dioxol-4-yl)propanoate
Names & synonyms
923590-94-7DTXSID90581075Methyl 3-(5-acetyl-2,2-dimethyl-2H-1,3-dioxol-4-yl)propanoateRefChem:354711DTXCID60531840methyl 3-(5-acetyl-2,2-dimethyl-1,3-dioxol-4-yl)propionate
Database identifiers
- CAS
923590-94-7- PubChem CID
- 16007166
- DTXSID
DTXSID90581075
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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