Basic information
- CAS
52059-59-3- Standard SMILES
O=c1oc(-c2ccccc2O)ns1- InChIKey
YFHJVYJUOOGEPY-UHFFFAOYSA-N- Molecular formula
- C8H5NO3S
- Average molar mass
- 195.2 g/mol
- Monoisotopic mass
- 194.9990142
Names & identifiers
- Preferred name
- (5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-one
- IUPAC
- 5-(2-hydroxyphenyl)-1,3,4-oxathiazol-2-one
Names & synonyms
NSC29444252059-59-3SCHEMBL9627128DTXSID20418547(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxathiazolidin-2-oneNSC-294442
Database identifiers
- CAS
52059-59-3- PubChem CID
- 325548
- DTXSID
DTXSID20418547
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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