Basic information
- Standard SMILES
O=C1OCCC12Sc1ccccc1C2=O- InChIKey
GXEOTXLMJARFGZ-UHFFFAOYSA-N- Molecular formula
- C11H8O3S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.01941529
Names & identifiers
- Preferred name
- 4',5'-dihydrospiro[benzo[b]thiophene-2(3H), 3'(2'H)-furan]3,2'-dione
- IUPAC
- spiro[1-benzothiophene-2,3'-oxolane]-2',3-dione
Names & synonyms
SCHEMBL11162888GXEOTXLMJARFGZ-UHFFFAOYSA-N4',5'-dihydrospiro[benzo[b]-thiophene-2(3H),3'(2'H)-furan]-3,2'-dione4',5'-dihydrospiro[benzo[b]thiophene-2(3H), 3'(2'H)-furan]3,2'-dione
Database identifiers
- PubChem CID
- 13622283
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 328
Related reactions
4 records
Compound notes
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