7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-
Basic information
- CAS
15254-70-3- Standard SMILES
CC1=CC(=O)C2OC2C1=O- InChIKey
QMPGHDQKVHABLV-UHFFFAOYSA-N- Molecular formula
- C7H6O3
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.03169405
Names & identifiers
- Preferred name
- 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-
- IUPAC
- 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Names & synonyms
7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-15254-70-3NSC266029NSC 266029SCHEMBL5456336DTXSID20934535NSC-2660293-METHYL-7-OXABICYCLO[4.1.0]HEPT-3-ENE-2,5-DIONE
Database identifiers
- CAS
15254-70-3- PubChem CID
- 99917
- DTXSID
DTXSID20934535
Properties
Computed structural properties
- XLogP
- 0
- 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
- 252
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Compound notes
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