(5-Fluoro-2-methyl-1-oxo-1H-inden-3-yl)acetic acid
Basic information
- CAS
52251-76-0- Standard SMILES
CC1=C(CC(=O)O)c2cc(F)ccc2C1=O- InChIKey
XCGCLQITVSAOLJ-UHFFFAOYSA-N- Molecular formula
- C12H9FO3
- Average molar mass
- 220.2 g/mol
- Monoisotopic mass
- 220.05357231
Names & identifiers
- Preferred name
- (5-Fluoro-2-methyl-1-oxo-1H-inden-3-yl)acetic acid
- IUPAC
- 2-(6-fluoro-2-methyl-3-oxoinden-1-yl)acetic acid
Names & synonyms
52251-76-02-(5-Fluoro-2-methyl-1-oxo-1H-inden-3-yl)acetic acidSulindac Impurity 21(5-Fluoro-2-methyl-1-oxo-1H-inden-3-yl)acetic acidDTXSID80789109
Database identifiers
- CAS
52251-76-0- PubChem CID
- 71365713
- DTXSID
DTXSID80789109
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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