| CAS Number | 16564-18-4 |
| Catalog Number | AG01BDWH(AGN-PC-05FEPI) |
| Chemical Name | 1-(6-Methyl-1-benzofuran-2-yl)ethan-1-one |
| IUPAC Name | 1-(6-methyl-1-benzofuran-2-yl)ethanone |
| InChI | InChI=1S/C11H10O2/c1-7-3-4-9-6-10(8(2)12)13-11(9)5-7/h3-6H,1-2H3 |
| InChI Key | ZPLPPHUAGUDZJM-UHFFFAOYSA-N |
| MDL Number | MFCD11574549 |
| Molecular Formula | C11H10O2 |
| Molecular Weight | 174.1959 |
| SMILES | CC(C1OC2=C(C=CC(=C2)C)C=1)=O |
| Synonyms | 1-(6-methyl-1-benzofuran-2-yl)ethan-1-one,
16564-18-4,
1-(6-methylbenzofuran-2-yl)ethanone,
SCHEMBL13155417,
ZINC20389923,
AKOS002679527,
NE39494,
CS-0062585,
Z2719291522,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.199g/mol |
| Monoisotopic Mass | 174.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number