| CAS Number | 1155083-53-6 |
| Catalog Number | AG01B4Y9 |
| Chemical Name | 1-[4-(2-Methoxyethyl)phenoxy]propan-2-one |
| IUPAC Name | 1-[4-(2-methoxyethyl)phenoxy]propan-2-one |
| InChI | InChI=1S/C12H16O3/c1-10(13)9-15-12-5-3-11(4-6-12)7-8-14-2/h3-6H,7-9H2,1-2H3 |
| InChI Key | IPXLSOMKQNTBRC-UHFFFAOYSA-N |
| MDL Number | MFCD12145670 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | COCCC1=CC=C(OCC(C)=O)C=C1 |
| Synonyms | 1-[4-(2-methoxyethyl)phenoxy]propan-2-one,
1155083-53-6,
ZINC35184756,
AKOS008910755,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number