| CAS Number | 1447943-49-8 |
| Catalog Number | AG01B1TO |
| Chemical Name | 1,1-Difluorospiro[2.5]octane-6-carboxylic acid |
| IUPAC Name | 2,2-difluorospiro[2.5]octane-6-carboxylic acid |
| InChI | InChI=1S/C9H12F2O2/c10-9(11)5-8(9)3-1-6(2-4-8)7(12)13/h6H,1-5H2,(H,12,13) |
| InChI Key | RVASSHNVWZETBJ-UHFFFAOYSA-N |
| MDL Number | MFCD28364755 |
| Molecular Formula | C9H12F2O2 |
| Molecular Weight | 190.1872 |
| SMILES | FC1(CC12CCC(CC2)C(=O)O)F |
| Synonyms | 1,1-Difluorospiro[2.5]octane-6-carboxylic acid,
1447943-49-8,
Spiro[2.5]octane-6-carboxylic acid, 1,1-difluoro-,
SCHEMBL15114487,
MFCD28364755,
AKOS026719101,
AKOS034825452,
ZINC223643627,
AS-43493,
CS-0058008,
F2167-4396,
Z2467454511,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.19g/mol |
| Monoisotopic Mass | 190.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number