| CAS Number | 1581734-87-3 |
| Catalog Number | AG01DVPT(AGN-PC-0WD79W) |
| Chemical Name | 3-(3,3-difluorocyclobutyl)propanoic acid |
| IUPAC Name | 3-(3,3-difluorocyclobutyl)propanoic acid |
| InChI | InChI=1S/C7H10F2O2/c8-7(9)3-5(4-7)1-2-6(10)11/h5H,1-4H2,(H,10,11) |
| InChI Key | CYFCVCHDGLSVMB-UHFFFAOYSA-N |
| MDL Number | MFCD28501845 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | OC(=O)CCC1CC(C1)(F)F |
| Synonyms | 3-(3,3-difluorocyclobutyl)propanoic acid,
1581734-87-3,
SCHEMBL15618969,
AKOS026716969,
ZINC222115871,
SB15330,
3-(3,3-difluorocyclobutyl)propanoicacid,
F2147-4252,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number