| CAS Number | 1341760-69-7 |
| Catalog Number | AG01A3XB |
| Chemical Name | 4-(4-Methoxybenzoyl)oxane |
| IUPAC Name | (4-methoxyphenyl)-(oxan-4-yl)methanone |
| InChI | InChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11/h2-5,11H,6-9H2,1H3 |
| InChI Key | IINOPBXHLGRRGK-UHFFFAOYSA-N |
| MDL Number | MFCD17243716 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | O=C(C1CCOCC1)C2=CC=C(OC)C=C2 |
| Synonyms | 4-(4-methoxybenzoyl)oxane,
1341760-69-7,
SCHEMBL16861595,
IINOPBXHLGRRGK-UHFFFAOYSA-N,
ZINC61671167,
AKOS012203065,
NE57701,
methanone, (4-methoxyphenyl)(tetrahydro-2h-pyran-4-yl),
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number