Pyruvic acid, 3-fluoro-, methyl ester
Basic information
- CAS
399-87-1- Standard SMILES
COC(=O)C(=O)CF- InChIKey
IZJWUPAJEFJGHC-UHFFFAOYSA-N- Molecular formula
- C4H5FO3
- Average molar mass
- 120.08 g/mol
- Monoisotopic mass
- 120.02227218
Names & identifiers
- Preferred name
- Pyruvic acid, 3-fluoro-, methyl ester
- IUPAC
- methyl 3-fluoro-2-oxopropanoate
- English name
- 3-Fluoropyruvic acid methyl ester
- Molecular formula
- C4H5FO3
- Molecular weight
- 120.08
Names & synonyms
399-87-1Pyruvic acid, 3-fluoro-, methyl esterDTXSID90192948RefChem:1097694DTXCID30115439Methyl 3-fluoropyruvatemethyl 3-fluoro-2-oxopropanoateBRN 1753990SCHEMBL51763443-Fluoropyruvic acid methyl esterPropanoic acid, 3-fluoro-2-oxo-, methyl ester
Database identifiers
- CAS
399-87-1- PubChem CID
- 120230
- DTXSID
DTXSID90192948- Nikkaji
- J72.996E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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