Basic information
- CAS
433-48-7- Standard SMILES
O=C(O)C(=O)CF- InChIKey
CXABZTLXNODUTD-UHFFFAOYSA-N- Molecular formula
- C3H3FO3
- Average molar mass
- 106.05 g/mol
- Monoisotopic mass
- 106.00662212
Overview
3-fluoropyruvic acid is a pyruvic acid derivative having a 3-fluoro substituent. It is a 2-oxo monocarboxylic acid and an organofluorine compound. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-fluoropyruvate.
Names & identifiers
- Preferred name
- Fluoropyruvic acid
- IUPAC
- 3-fluoro-2-oxopropanoic acid
- English name
- 3-fluoropyruvate
- Molecular formula
- C3H3FO3
- Molecular weight
- 106.05
Names & synonyms
3-FluoropyruvateFluoropyruvic acid433-48-7Pyruvic acid, 3-fluoro-040OM3QF5RNSC-21734CHEBI:55522RefChem:921717beta-Fluoropyruvic acid3-Fluoro-2-oxopropanoic acid3-Fluoropyruvic acidPyruvic acid, fluoro-
Show more names
2-Oxo-3-fluoropropionic acid
Pyruvic acid, 3-fluoroPropanoic acid, 3-fluoro-2-oxo-NSC 21734BRN 1746780UNII-040OM3QF5R.omega.-Fluoropyruvic acidWLN: QNU1V1FSCHEMBL61445
Database identifiers
- CAS
433-48-7- PubChem CID
- 67946
- DTXSID
DTXSID30962985- ChEMBL
CHEMBL1162543- ChEBI
CHEBI:55521- UNII
- 040OM3QF5R
- Nikkaji
- J49.680D
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98.4
Physicochemical properties
- FDA UNII
- 40 OM3QF5R · 040OM3QF5R
Chemistry & industry
Applications
Uses3-Fluoropyruvic Acid is a useful building block and has been proposed to have a mechanistic effect on the inactivation of mandelate racemase.
Upstream & downstream products
Downstream products
Suppliers15 total
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
淄博航宇生物科技发展有限公司13053322091 13053322091 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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