Basic information
- Standard SMILES
O=C(O)[C@@H]1CN(c2ccc3c(c2)OCCO3)C(=O)O1- InChIKey
BJJVZZQLHKXBIX-JTQLQIEISA-N- Molecular formula
- C12H11NO6
- Average molar mass
- 265.22 g/mol
- Monoisotopic mass
- 265.05863707
Names & identifiers
- Preferred name
- (S)-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-oxo-oxazolidine-5-carboxylic acid
- IUPAC
- (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidine-5-carboxylic acid
Names & synonyms
SCHEMBL589969BJJVZZQLHKXBIX-JTQLQIEISA-N(S)-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-oxo-oxazolidine-5-carboxylic acid
Database identifiers
- PubChem CID
- 66736285
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 386
Related reactions
3 records
Compound notes
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