| CAS Number | 1410797-04-4 |
| Catalog Number | AG019TCM |
| Chemical Name | 7-fluorochroman-3-carboxylic acid |
| IUPAC Name | 7-fluoro-3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C10H9FO3/c11-8-2-1-6-3-7(10(12)13)5-14-9(6)4-8/h1-2,4,7H,3,5H2,(H,12,13) |
| InChI Key | ZWDJJPHDKFWADW-UHFFFAOYSA-N |
| MDL Number | MFCD23098136 |
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.1751 |
| SMILES | OC(C1CC2=C(C=C(C=C2)F)OC1)=O |
| Synonyms | 7-FLUOROCHROMAN-3-CARBOXYLIC ACID,
1410797-04-4,
7-fluoro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid,
MFCD23098136,
AKOS022917970,
AS-42614,
Z2658868018,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.177g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number