4-Methoxy-3-methyl-4-oxobutanoate
Basic information
- CAS
113451-48-2- Standard SMILES
COC(=O)C(C)CC(=O)[O-]- InChIKey
QEZMQNIFDRNSJZ-UHFFFAOYSA-M- Molecular formula
- C6H9O4-
- Average molar mass
- 145.13 g/mol
- Monoisotopic mass
- 145.05008376
Names & identifiers
- Preferred name
- 4-Methoxy-3-methyl-4-oxobutanoate
- IUPAC
- 4-methoxy-3-methyl-4-oxobutanoate
Names & synonyms
113451-48-24-METHOXY-3-METHYL-4-OXOBUTANOATEDTXSID70600319
Database identifiers
- CAS
113451-48-2- PubChem CID
- 19821070
- DTXSID
DTXSID70600319
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- -1
- Complexity
- 135
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Compound notes
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