3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
Basic information
- CAS
34905-87-8- Standard SMILES
O=C1CC2CC=CCC2O1- InChIKey
PPASVOQVTFYTSL-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Names & identifiers
- Preferred name
- 3a,4,7,7a-Tetrahydro-1-benzofuran-2(3h)-one
- IUPAC
- 3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one
Names & synonyms
3a,4,7,7a-tetrahydro-1-benzofuran-2(3h)-one34905-87-8DTXSID80298822RefChem:282845DTXCID20249959NSC1263613a,4,7,7a-Tetrahydrobenzofuran-2(3H)-oneSCHEMBL785507SCHEMBL6648458NSC-126361
Database identifiers
- CAS
34905-87-8- PubChem CID
- 277477
- DTXSID
DTXSID80298822- Nikkaji
- J464.756D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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