6-formyl-2,3-dihydro-1H-indene-4-sulfonic acid
Basic information
- CAS
52577-11-4- Standard SMILES
O=Cc1cc2c(c(S(=O)(=O)O)c1)CCC2- InChIKey
OZZBLOPSTIEKSG-UHFFFAOYSA-N- Molecular formula
- C10H10O4S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.02997997
Names & identifiers
- Preferred name
- 6-formyl-2,3-dihydro-1H-indene-4-sulfonic acid
- IUPAC
- 6-formyl-2,3-dihydro-1H-indene-4-sulfonic acid
Names & synonyms
6-formyl-2,3-dihydro-1H-indene-4-sulfonic acidSCHEMBL11431630DTXSID10124703452577-11-4
Database identifiers
- CAS
52577-11-4- PubChem CID
- 23347703
- DTXSID
DTXSID101247034
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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