Basic information
- CAS
6277-50-5- Standard SMILES
C=C(CC(=O)OC)C(C)=O- InChIKey
OAXSVIVTXLIFDH-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- Methyl 3-methylidene-4-oxopentanoate
- IUPAC
- methyl 3-methylidene-4-oxopentanoate
Names & synonyms
methyl 3-methylidene-4-oxopentanoate6277-50-5NSC34812SCHEMBL10239632DTXSID40284004NSC-34812
Database identifiers
- CAS
6277-50-5- PubChem CID
- 234615
- DTXSID
DTXSID40284004- Nikkaji
- J693.470F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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