Basic information
- CAS
17091-93-9- Standard SMILES
CC12C=CC=CC1O2- InChIKey
FHYLEJSGUQBKRQ-UHFFFAOYSA-N- Molecular formula
- C7H8O
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.05751487
Names & identifiers
- Preferred name
- 7-Oxabicyclo[4.1.0]hepta-2,4-diene, 1-methyl-
- IUPAC
- 1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene
Names & synonyms
tolueneoxide1-methyl-7-oxabicyclo[4.1.0]hepta-2,4-diene17091-93-97-Oxabicyclo[4.1.0]hepta-2,4-diene, 1-methyl-SCHEMBL5434263DTXSID90437088
Database identifiers
- CAS
17091-93-9- PubChem CID
- 10240782
- DTXSID
DTXSID90437088- Nikkaji
- J1.253.230J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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