| CAS Number | 117347-72-5 |
| Catalog Number | AG01A04H(AGN-PC-042743) |
| Chemical Name | 2,2-Dimethyl-1-(5-methylfuran-2-yl)propan-1-one |
| IUPAC Name | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one |
| InChI | InChI=1S/C10H14O2/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5-6H,1-4H3 |
| InChI Key | UOKYXYGDGAXKJT-UHFFFAOYSA-N |
| MDL Number | MFCD16087025 |
| Molecular Formula | C10H14O2 |
| Molecular Weight | 166.2170 |
| SMILES | CC1OC(C(C(C)(C)C)=O)=CC=1 |
| Synonyms | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one,
117347-72-5,
SCHEMBL2625474,
ZINC43609013,
AKOS010982630,
NE24557,
RP22932,
Z1421451447,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.22g/mol |
| Monoisotopic Mass | 166.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number