3-Methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid
Basic information
- CAS
773028-46-9- Standard SMILES
CC1=CC(=O)C(=O)C(S(=O)(=O)O)=C1- InChIKey
JSOFKLQEMBWUFE-UHFFFAOYSA-N- Molecular formula
- C7H6O5S
- Average molar mass
- 202.19 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid
- IUPAC
- 3-methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid
- English name
- 1,3-Cyclohexadiene-1-sulfonicacid,3-methyl-5,6-dioxo-(9CI)
- Molecular formula
- C7H6O5S
- Molecular weight
- 202.18454
Names & synonyms
773028-46-93-Methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid1,3-Cyclohexadiene-1-sulfonicacid,3-methyl-5,6-dioxo-(9CI)
Database identifiers
- CAS
773028-46-9
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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