Basic information
- CAS
6939-17-9- Standard SMILES
CC(C)[n+]1cc([O-])on1- InChIKey
MOPOHBGHMCTYJK-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylethyl)-, inner salt
- IUPAC
- 3-propan-2-yloxadiazol-3-ium-5-olate
- English name
- 3-Isopropylsydnone
- Molecular weight
- 0
Names & synonyms
Sydnone, 3-isopropyl-6939-17-9DTXSID30219502RefChem:1051984DTXCID101419931,2,3-Oxadiazolium, 5-hydroxy-3-(1-methylethyl)-, inner salt3-IsopropylsydnoneSydnone, 3-(1-methylethyl)-NSC 567863-Isopropyl-1,2,3-oxadiazol-3-ium-5-olateBRN 4135220AI3-61269
Show more names
3-(propan-2-yl)-1,2,3-oxadiazol-3-ium-5-olateNSC56786NSC-56786
Database identifiers
- CAS
6939-17-9- PubChem CID
- 201824
- DTXSID
DTXSID30219502- Nikkaji
- J191.893A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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