3-Fluoropyruvic Acid - CAS 433-48-7
Catalog: |
BB065000 |
Product Name: |
3-Fluoropyruvic Acid |
CAS: |
433-48-7 |
Synonyms: |
beta-Fluoropyruvic acid; 3-Fluoro-2-oxopropanoic acid; Fluoropyruvic acid; 3-Fluoropyruvate; Fluoropyruvate; 3-Fluoropyruvic acid; Pyruvic acid, 3-fluoro-; Pyruvic acid, fluoro- |
IUPAC Name: | 3-fluoro-2-oxopropanoic acid |
Molecular Weight: | 106.05 |
Molecular Formula: | C3H3FO3 |
Canonical SMILES: | C(C(=O)C(=O)O)F |
InChI: | InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7) |
InChI Key: | CXABZTLXNODUTD-UHFFFAOYSA-N |
Complexity: | 98.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.00662212 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.00662212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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