Basic information
- CAS
67056-35-3- Standard SMILES
Cc1ccc(S(=O)(=O)OCCn2nc(C)c3c(C)cc(=O)oc32)cc1- InChIKey
AQPVOWZIJXWDFQ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O5S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.09364285
Names & identifiers
- Preferred name
- 2-(3,4-Dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate
- IUPAC
- 2-(3,4-dimethyl-6-oxopyrano[3,2-d]pyrazol-1-yl)ethyl 4-methylbenzenesulfonate
Names & synonyms
67056-35-3NSC3136782-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)ethyl 4-methylbenzenesulfonateDTXSID80317269NSC-3136782-(3,4-Dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H)-yl)ethyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
67056-35-3- PubChem CID
- 329657
- DTXSID
DTXSID80317269
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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