Basic information
- CAS
56232-16-7- Standard SMILES
O=C1OC(O)C2C3C=CC(C3)C12- InChIKey
QJQKWWRFMPGUIQ-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy-
- IUPAC
- 5-hydroxy-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
Names & synonyms
4,7-Methanoisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-3-hydroxy-56232-16-7DTXSID20338372RefChem:286140DTXCID80289457SCHEMBL96991603-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran-1-one3-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran1-one3-Hydroxy-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3H)-one(3RS,3aRS,4RS,7RS,7aRS)3-hydroxy-3a,4,7,7a-tetrahydro-1H,3H-4,7-methano-isobenzofuran-1-one
Database identifiers
- CAS
56232-16-7- PubChem CID
- 548757
- DTXSID
DTXSID20338372- Nikkaji
- J768.082A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 271
Related reactions
3 records
Compound notes
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