| CAS Number | 111038-58-5 |
| Catalog Number | AG01A8DQ(AGN-PC-02UQJI) |
| Chemical Name | 1-(2,3-Dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one |
| IUPAC Name | 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one |
| InChI | InChI=1S/C12H14O2/c1-8(2)12(13)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8H,5-6H2,1-2H3 |
| InChI Key | OTXKCJBBWKDATG-UHFFFAOYSA-N |
| MDL Number | MFCD11205116 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.2384 |
| SMILES | CC(C(C1=CC2=C(OCC2)C=C1)=O)C |
| Synonyms | 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one,
111038-58-5,
AC1Q1NWT,
SCHEMBL11191099,
CTK6A2946,
ZINC36155002,
AKOS009165210,
NE23073,
EN300-61381,
2-Methyl-1-(2,3-dihydrobenzofuran-5-yl)-1-propanone,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.242g/mol |
| Monoisotopic Mass | 190.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number