| CAS Number | 1433830-68-2 |
| Catalog Number | AG01BIX6 |
| Chemical Name | 1-(3,4-Dihydro-2H-1-benzopyran-3-yl)ethan-1-one |
| IUPAC Name | 1-(3,4-dihydro-2H-chromen-3-yl)ethanone |
| InChI | InChI=1S/C11H12O2/c1-8(12)10-6-9-4-2-3-5-11(9)13-7-10/h2-5,10H,6-7H2,1H3 |
| InChI Key | UYKNUEWTYCVFRX-UHFFFAOYSA-N |
| MDL Number | MFCD21198125 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CC(C1CC2=C(C=CC=C2)OC1)=O |
| Synonyms | 1-(3,4-dihydro-2H-1-benzopyran-3-yl)ethan-1-one,
1433830-68-2,
SCHEMBL10205890,
AKOS014745226,
3-Acetyl-3,4-dihydro-2H-1-benzopyran,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number