3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1(3H)-one
Basic information
- CAS
7463-95-8- Standard SMILES
O=C1OCC2Cc3ccccc3CC12- InChIKey
PSUYTBYRHLUSRY-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 3a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1(3H)-one
- IUPAC
- 3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one
Names & synonyms
7463-95-8NSC4047643a,4,9,9a-Tetrahydronaphtho[2,3-c]furan-1(3H)-oneDTXSID70996148NSC407022NSC-404764NSC-4070227506-70-9
Database identifiers
- CAS
7463-95-8、7506-70-9- PubChem CID
- 346509
- DTXSID
DTXSID70996148
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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