2-Hydroxysorbinil
Basic information
- CAS
104029-13-2- Standard SMILES
O=C1NC(=O)C2(CC(O)Oc3ccc(F)cc32)N1- InChIKey
SSCUVWXLQOWZAW-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O4
- Average molar mass
- 252.2 g/mol
- Monoisotopic mass
- 252.05463493
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-Hydroxysorbinil
- IUPAC
- 6-fluoro-2-hydroxyspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
- English name
- 2-hydroxysorbinil
- Molecular formula
- C11H9FN2O4
- Molecular weight
- 252.1985632
Names & synonyms
2-Hydroxysorbinil2HSB2-HO-Sorbinil104029-13-2RefChem:87615SCHEMBL10607407DTXSID30908727SSCUVWXLQOWZAW-UHFFFAOYSA-N2-Hydroxy-6-fluorospiro[chroman-4,4'-imidazolidine]2',5'-dione6-Fluoro-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazole]-2,2',5'-triol6-Fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazole]-2,2',5'-triol
Database identifiers
- CAS
104029-13-2- PubChem CID
- 196368
- DTXSID
DTXSID30908727
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
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Related reactions
2 records
Compound notes
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