| CAS Number | 214150-20-6 |
| Catalog Number | AG00BPU5(AGN-PC-0NKZFF) |
| Chemical Name | 1-(1,3-Dihydro-2-benzofuran-5-yl)ethan-1-one |
| IUPAC Name | 1-(1,3-dihydro-2-benzofuran-5-yl)ethanone |
| InChI | InChI=1S/C10H10O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h2-4H,5-6H2,1H3 |
| InChI Key | BWYLJWWBDQIWPZ-UHFFFAOYSA-N |
| MDL Number | MFCD17270773 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | CC(C1=CC2=C(COC2)C=C1)=O |
| Synonyms | 214150-20-6,
1-(1,3-dihydro-2-benzofuran-5-yl)ethan-1-one,
1-(1,3-Dihydroisobenzofuran-5-yl)ethanone,
Ethanone, 1-(1,3-dihydro-5-isobenzofuranyl)- (9CI),
CTK8H5996,
5-Acetyl-1,3-dihydroisobenzofuran,
ZINC39071193,
AKOS010969935,
EN300-56169,
Z1245633397,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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