5-Amino-4-hydroxy-2-(3-methoxyphenyl)furan-3-one
Basic information
- CAS
41418-75-1- Standard SMILES
COc1cccc(C2OC(N)=C(O)C2=O)c1- InChIKey
CUQLTDPWNOGBHR-UHFFFAOYSA-N- Molecular formula
- C11H11NO4
- Average molar mass
- 221.21 g/mol
- Monoisotopic mass
- 221.06880783
Names & identifiers
- Preferred name
- 5-Amino-4-hydroxy-2-(3-methoxyphenyl)furan-3-one
- IUPAC
- 5-amino-4-hydroxy-2-(3-methoxyphenyl)furan-3-one
Names & synonyms
41418-75-15-amino-4-hydroxy-2-(3-methoxyphenyl)furan-3-oneNSC3720695-Amino-4-hydroxy-2-(3-methoxy-phenyl)-furan-3-oneSCHEMBL15621220DTXSID30331132NSC-3720695-Amino-4-hydroxy-2-(3-methoxyphenyl)furan-3(2H)-one
Database identifiers
- CAS
41418-75-1- PubChem CID
- 435549
- DTXSID
DTXSID30331132
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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