1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Basic information
- CAS
55164-59-5- Standard SMILES
CC12OC1C(=O)C=CC2=O- InChIKey
WTNIJDJQHWUSHX-UHFFFAOYSA-N- Molecular formula
- C7H6O3
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.03169405
Names & identifiers
- Preferred name
- 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
- IUPAC
- 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Names & synonyms
55164-59-51-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dioneNSC266030DTXSID50313031NSC-266030
Database identifiers
- CAS
55164-59-5- PubChem CID
- 319922
- DTXSID
DTXSID50313031- Nikkaji
- J3.471.134H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 46.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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