5-(5-Fluoro-2-methoxyphenyl)-3-methyl-5-oxovaleric acid
Basic information
- CAS
951885-39-5- Standard SMILES
COc1ccc(F)cc1C(=O)CC(C)CC(=O)O- InChIKey
MXTSFUPKZCZJHR-UHFFFAOYSA-N- Molecular formula
- C13H15FO4
- Average molar mass
- 254.25 g/mol
- Monoisotopic mass
- 254.09543712
Names & identifiers
- Preferred name
- 5-(5-Fluoro-2-methoxyphenyl)-3-methyl-5-oxovaleric acid
- IUPAC
- 5-(5-fluoro-2-methoxyphenyl)-3-methyl-5-oxopentanoic acid
Names & synonyms
951885-39-55-(5-Fluoro-2-methoxyphenyl)-3-methyl-5-oxovaleric acid5-(5-fluoro-2-methoxyphenyl)-3-methyl-5-oxopentanoic acidMFCD098018935-(5-Fluoro-2-methoxy-phenyl)-3-methyl-5-oxo-pentanoic acidDTXSID001209714AKOS012232135F2076305-(5-fluoro-2-methoxyphenyl)-3-methyl-5-oxopentanoicacid5-Fluoro-2-methoxy-I(2)-methyl-I -oxobenzenepentanoic acid
Database identifiers
- CAS
951885-39-5- PubChem CID
- 24727273
- DTXSID
DTXSID001209714
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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