Basic information
- CAS
23271-77-4- Standard SMILES
CC(C)N1CC(c2ccc3oc(=O)oc3c2)OC1=O- InChIKey
TYZQRRNMKWCMMA-UHFFFAOYSA-N- Molecular formula
- C13H13NO5
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.07937252
Names & identifiers
- Preferred name
- 2-Oxazolidinone, 3-(1-methylethyl)-5-(2-oxo-1,3-benzodioxol-5-yl)-
- IUPAC
- 5-(2-oxo-1,3-benzodioxol-5-yl)-3-propan-2-yl-1,3-oxazolidin-2-one
Names & synonyms
CEJ40QV5EH2-Oxazolidinone, 3-(1-methylethyl)-5-(2-oxo-1,3-benzodioxol-5-yl)-23271-77-45-(3,4-Carbonyldioxyphenyl)-3-isopropyl-2-oxazolidinoneUNII-CEJ40QV5EH5-(3',4'-Carbonyldioxyphenyl)-3-isopropyl-2-oxazolidinone
Database identifiers
- CAS
23271-77-4- PubChem CID
- 31797
- UNII
- CEJ40QV5EH
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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