Basic information
- Standard SMILES
CC(=O)Oc1ccc2cc(N=[N+]=[N-])c(=O)oc2c1- InChIKey
YVWSHWUPTFLTIE-UHFFFAOYSA-N- Molecular formula
- C11H7N3O4
- Average molar mass
- 245.19 g/mol
Names & identifiers
- Preferred name
- acetic acid 3-azido-2-oxo-2H-chromen-7-yl ester
- IUPAC
- (3-azido-2-oxochromen-7-yl) acetate
Names & synonyms
acetic acid 3-azido-2-oxo-2H-chromen-7-yl esterSCHEMBL15541679YVWSHWUPTFLTIE-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86019028
- Nikkaji
- J2.119.264C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 453
Related reactions
2 records
Compound notes
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