| CAS Number | 1191096-28-2 |
| Catalog Number | AG000I7P(AGN-PC-0WBSKB) |
| Chemical Name | Cyclobutanepropanoic acid, 3,3-difluoro-β-oxo-, methyl ester |
| IUPAC Name | methyl 3-(3,3-difluorocyclobutyl)-3-oxopropanoate |
| InChI | InChI=1S/C8H10F2O3/c1-13-7(12)2-6(11)5-3-8(9,10)4-5/h5H,2-4H2,1H3 |
| InChI Key | DKSDUHFMMFAWKE-UHFFFAOYSA-N |
| MDL Number | MFCD17015923 |
| Molecular Formula | C8H10F2O3 |
| Molecular Weight | 192.1600 |
| SMILES | C(=O)(CC(=O)OC)C1CC(C1)(F)F |
| Synonyms | METHYL 3-(3,3-DIFLUOROCYCLOBUTYL)-3-OXOPROPANOATE,
1191096-28-2,
SCHEMBL1016647,
DKSDUHFMMFAWKE-UHFFFAOYSA-N,
MFCD17015923,
ZINC95630789,
AKOS025290794,
PB30179,
KS-0000036B,
AS-33524,
CS-0049148,
Q-3239,
methyl 3-(3,3-difluorocyclobutyl)-3-oxo-propanoate,
Cyclobutanepropanoic acid, 3,3-difluoro-beta-oxo-, methyl ester,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.162g/mol |
| Monoisotopic Mass | 192.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number