Basic information
- CAS
6939-15-7- Standard SMILES
CCC[n+]1cc([O-])on1- InChIKey
XAZYOVBOFGJZAL-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- Sydnone, 3-propyl-
- IUPAC
- 3-propyloxadiazol-3-ium-5-olate
Names & synonyms
3-PropylsydnoneSydnone, 3-propyl-NSC 567836939-15-7BRN 3606330DTXSID10219500RefChem:382743DTXCID901419913-propyl-1,2,3-oxadiazol-3-ium-5-olateSCHEMBL1436165SCHEMBL1436167NSC56783
Show more names
NSC-56783
Database identifiers
- CAS
6939-15-7- PubChem CID
- 201822
- DTXSID
DTXSID10219500- Nikkaji
- J191.900H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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