2,3-Dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-yl acetate
Basic information
- CAS
33233-44-2- Standard SMILES
CC(=O)OC1Cn2ccc[n+]2C1- InChIKey
HYVIVNLUGVKNNX-UHFFFAOYSA-N- Molecular formula
- C8H11N2O2+
- Average molar mass
- 167.19 g/mol
- Monoisotopic mass
- 167.0820526
Names & identifiers
- Preferred name
- 2,3-Dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-yl acetate
- IUPAC
- 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl acetate
Names & synonyms
NSC 9449733233-44-22,3-Dihydro-1H-4lambda(5)-pyrazolo(1,2-a)pyrazol-2-yl acetateNSC94497DTXSID301868866,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl acetate2-(Acetyloxy)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-4-ium2,3-Dihydro-1H-4.lambda.~5~-pyrazolo[1,2-a]pyrazol-2-yl acetate
Database identifiers
- CAS
33233-44-2- PubChem CID
- 417680
- DTXSID
DTXSID30186886
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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