7-(4-Aminophenoxy)-2-oxo-2H-1-benzopyran-3-carboxylic acid
Basic information
- CAS
92921-45-4- Standard SMILES
Nc1ccc(Oc2ccc3cc(C(=O)O)c(=O)oc3c2)cc1- InChIKey
WRJWYTWRUWUGHJ-UHFFFAOYSA-N- Molecular formula
- C16H11NO5
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.06372245
Names & identifiers
- Preferred name
- 7-(4-Aminophenoxy)-2-oxo-2H-1-benzopyran-3-carboxylic acid
- IUPAC
- 7-(4-aminophenoxy)-2-oxochromene-3-carboxylic acid
Names & synonyms
92921-45-4DTXSID405625917-(4-Aminophenoxy)-2-oxo-2H-1-benzopyran-3-carboxylic acidRefChem:310107DTXCID00513367SCHEMBL98138383-carboxy-7-(4'-aminophenoxy)-coumarine
Database identifiers
- CAS
92921-45-4- PubChem CID
- 14647752
- DTXSID
DTXSID40562591
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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