| CAS Number | 95041-89-7 |
| Catalog Number | AG019MX6(AGN-PC-0W4L5T) |
| Chemical Name | 3-(3-Fluorophenyl)-2-oxopropanoic acid |
| IUPAC Name | 3-(3-fluorophenyl)-2-oxopropanoic acid |
| InChI | InChI=1S/C9H7FO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13) |
| InChI Key | GTMNJUMHHOHBIJ-UHFFFAOYSA-N |
| MDL Number | MFCD09729862 |
| Molecular Formula | C9H7FO3 |
| Molecular Weight | 182.1485 |
| SMILES | C1=CC(=CC(=C1)F)CC(=O)C(=O)O |
| Synonyms | 3-(3-fluorophenyl)-2-oxopropanoic acid,
95041-89-7,
AC1Q71MJ,
SCHEMBL5791660,
3-(3-Fluorophenyl)pyruvic acid,
CTK7C1827,
ARJ100004,
ZINC13540105,
AKOS000138385,
NE38104,
EN300-37578,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.15g/mol |
| Monoisotopic Mass | 182.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number