| CAS Number | 773132-38-0 |
| Catalog Number | AG019OVL |
| Chemical Name | (2E)-3-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid |
| IUPAC Name | 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoic acid |
| InChI | InChI=1S/C11H9FO4/c12-9-3-7(1-2-10(13)14)11-8(4-9)5-15-6-16-11/h1-4H,5-6H2,(H,13,14) |
| InChI Key | RIBPFILKLFAJKT-UHFFFAOYSA-N |
| MDL Number | MFCD06205756 |
| Molecular Formula | C11H9FO4 |
| Molecular Weight | 224.1852 |
| SMILES | OC(/C=C/C1=C2C(COCO2)=CC(F)=C1)=O |
| Synonyms | 773132-38-0,
3-(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid,
CTK7I2841,
MCULE-5113012957,
Z150918396,
(2E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)acrylic acid,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.187g/mol |
| Monoisotopic Mass | 224.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number