Basic information
- CAS
135733-30-1- Standard SMILES
[O-][n+]1onc(-c2ccccc2)c1CO- InChIKey
HSQJNPRERPSLPB-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.05349212
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide
- IUPAC
- (2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol
Names & synonyms
135733-30-13-(hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanolNSC688494CHEMBL5676414-Phenyl-1,2,5-oxadiazole-3-methanol 2-oxideSCHEMBL20167031SCHEMBL277089474-phenyl-3-hydroxymethyl-furoxanDTXSID10327811BDBM50300757NSC-688494
Show more names
NCGC00168370-01NCI60_031935DB-293733(2-Oxo-4-phenyl-1,2lambda~5~,5-oxadiazol-3-yl)methanol3-(Hydroxymethyl)-4-phenyl-1,2.lambda.~5~,5-oxadiazol-2-ol
Database identifiers
- CAS
135733-30-1- PubChem CID
- 390735
- DTXSID
DTXSID10327811- ChEMBL
CHEMBL567641- Nikkaji
- J504.687D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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