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Basic information
- CAS
76301-93-4- Standard SMILES
O=C(O)C1CCOc2ccc(F)cc21- InChIKey
SAXNXTGVOFQJRX-UHFFFAOYSA-N- Molecular formula
- C10H9FO3
- Average molar mass
- 196.17 g/mol
- Monoisotopic mass
- 196.05357237
Names & identifiers
- Preferred name
- 6-Fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
- IUPAC
- 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid
Names & synonyms
76301-93-46-Fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acidDTXSID40553202RefChem:1073933DTXCID005039852H-1-Benzopyran-4-carboxylic acid, 6-fluoro-3,4-dihydro-6-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acidCHEMBL780206-FLUOROCHROMANE-4-CARBOXYLIC ACID6-fluorochroman-4-carboxylic acidSCHEMBL1846438SAXNXTGVOFQJRX-UHFFFAOYSA-N
Show more names
6-Fluoro-chroman-4-carboxylic acidBDBM50022448MFCD16304249AT31812EBC-612521KS-10462EN300-717436F550205
Database identifiers
- CAS
76301-93-4- PubChem CID
- 13953799
- DTXSID
DTXSID40553202- ChEMBL
CHEMBL78020
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
8 records
Compound notes
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