Basic information
- CAS
5450-95-3- Standard SMILES
O=S(=O)(O)C(O)CC(O)S(=O)(=O)O- InChIKey
FFXHMMWVYJWNEM-UHFFFAOYSA-N- Molecular formula
- C3H8O8S2
- Average molar mass
- 236.2 g/mol
- Monoisotopic mass
- 235.96605956
Names & identifiers
- Preferred name
- Sodium malonaldehyde bisulfite
- IUPAC
- 1,3-dihydroxypropane-1,3-disulfonic acid
Names & synonyms
Sodium malonaldehyde bisulfite1,3-Dihydroxy-1,3-propanedisulfonic acidNSC 182595450-95-3NSC182591,3-dihydroxypropane-1,3-disulfonic acidSCHEMBL13538731
Database identifiers
- CAS
5450-95-3- PubChem CID
- 409055
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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