| CAS Number | 3307-21-9 |
| Catalog Number | AG01DHAF |
| Chemical Name | 1-Methoxy-4-(octan-3-yl)benzene |
| IUPAC Name | 1-methoxy-4-octan-3-ylbenzene |
| InChI | InChI=1S/C15H24O/c1-4-6-7-8-13(5-2)14-9-11-15(16-3)12-10-14/h9-13H,4-8H2,1-3H3 |
| InChI Key | TXWXNPSSSPQQFF-UHFFFAOYSA-N |
| MDL Number | MFCD31807295 |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.3505 |
| SMILES | CCCCCC(CC)c1ccc(OC)cc1 |
| Synonyms | 1-Methoxy-4-(octan-3-yl)benzene,
3307-21-9,
SCHEMBL9334176,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.356g/mol |
| Monoisotopic Mass | 220.183g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
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Certificate of Analysis
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