| CAS Number | 1519455-25-4 |
| Catalog Number | AG01B1Z8 |
| Chemical Name | 3-(2,2-Difluoro-1,3-dioxaindan-5-yl)propanoic acid |
| IUPAC Name | 3-(2,2-difluoro-1,3-benzodioxol-5-yl)propanoic acid |
| InChI | InChI=1S/C10H8F2O4/c11-10(12)15-7-3-1-6(2-4-9(13)14)5-8(7)16-10/h1,3,5H,2,4H2,(H,13,14) |
| InChI Key | MQYASWNSYMYWRG-UHFFFAOYSA-N |
| MDL Number | MFCD29907250 |
| Molecular Formula | C10H8F2O4 |
| Molecular Weight | 230.1649 |
| SMILES | OC(CCC1=CC2=C(OC(O2)(F)F)C=C1)=O |
| Synonyms | 1519455-25-4,
3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)propanoic acid,
ZINC83071133,
AKOS022931448,
3-(2,2-Difluoro-1,3-dioxaindan-5-yl)propanoic acid,
Z2469998588,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.167g/mol |
| Monoisotopic Mass | 230.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number