| CAS Number | 100701-49-3 |
| Catalog Number | AG0002O4(AGN-PC-025T08) |
| Chemical Name | 3-ethoxy-2-fluoro-3-oxopropanoic acid |
| IUPAC Name | 3-ethoxy-2-fluoro-3-oxopropanoic acid |
| InChI | InChI=1S/C5H7FO4/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H,7,8) |
| InChI Key | MBHUWFBTQONAMA-UHFFFAOYSA-N |
| MDL Number | MFCD20640383 |
| Molecular Formula | C5H7FO4 |
| Molecular Weight | 150.1051 |
| SMILES | CCOC(C(C(O)=O)F)=O |
| Synonyms | 3-ethoxy-2-fluoro-3-oxopropanoic acid,
100701-49-3,
Propanedioic acid, 2-fluoro-, 1-ethyl ester,
SCHEMBL8923960,
MBHUWFBTQONAMA-UHFFFAOYSA-N,
2-fluoromalonic acid monoethyl ester,
AKOS026730240,
3-Ethoxy-2-fluoro-3-oxopropionic acid,
NE54234,
Propanedioic acid,2-fluoro-,1-ethyl ester,
Propanedioicacid,fluoro-,monoethylester,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.105g/mol |
| Monoisotopic Mass | 150.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number