| CAS Number | 66422-54-6 |
| Catalog Number | AG019JNZ |
| Chemical Name | 4-{4-[(Oxiran-2-yl)methoxy]phenyl}butan-2-one |
| IUPAC Name | 4-[4-(oxiran-2-ylmethoxy)phenyl]butan-2-one |
| InChI | InChI=1S/C13H16O3/c1-10(14)2-3-11-4-6-12(7-5-11)15-8-13-9-16-13/h4-7,13H,2-3,8-9H2,1H3 |
| InChI Key | SEODQXPJJBNKLF-UHFFFAOYSA-N |
| MDL Number | MFCD06655046 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | CC(CCC1=CC=C(OCC2OC2)C=C1)=O |
| Synonyms | 4-[4-(oxiran-2-ylmethoxy)phenyl]butan-2-one,
66422-54-6,
AC1MVLPC,
AC1Q1K5L,
CTK6A0188,
NE17308,
EN300-09944,
ZINC04200177,
CID3709816,
|
| Complexity | 231 |
| 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 | 6 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number