Basic information
- CAS
29584-91-6- Standard SMILES
Cc1ncoc1C.Cc1ncoc1C.O=S(=O)(O)CCS(=O)(=O)O- InChIKey
AKDAZKHLVFSAHQ-UHFFFAOYSA-N- Molecular formula
- C12H20N2O8S2
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.06610795
Names & identifiers
- Preferred name
- Oxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)
- IUPAC
- bis(4,5-dimethyl-1,3-oxazole);ethane-1,2-disulfonic acid
Names & synonyms
4,5-Dimethyloxazole 1,2-ethanedisulfonateOxazole, 4,5-dimethyl-, 1,2-ethanedisulfonate (7:4)29584-91-6DTXSID20183763RefChem:367229DTXCID60106254Ethane-1,2-disulfonic acid--4,5-dimethyl-1,3-oxazole (1/2)
Database identifiers
- CAS
29584-91-6- PubChem CID
- 207285
- DTXSID
DTXSID20183763
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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