| CAS Number | 41198-42-9 |
| Catalog Number | AG00C9CK(AGN-PC-0IMG2C) |
| Chemical Name | 3-(1-Naphthalenyloxy)propiophenone |
| IUPAC Name | 3-naphthalen-1-yloxy-1-phenylpropan-1-one |
| InChI | InChI=1S/C19H16O2/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12H,13-14H2 |
| InChI Key | OIHULGYJXLUIFC-UHFFFAOYSA-N |
| MDL Number | MFCD27978103 |
| Molecular Formula | C23H26N6O2 |
| Molecular Weight | 418.4915 |
| SMILES | Cc1cc(ccc1)C=NNc2cc(nc(OCCc3ncccc3)n2)N4CCOCC4 |
| Synonyms | 3-(1-Naphthalenyloxy)propiophenone,
41198-42-9,
SCHEMBL6676887,
3-(1-Naphthyloxy)propiophenone,
DTXSID70741438,
ZINC77311537,
1-Phenyl-3-(1-naphthyloxy)-1-propanone,
3-(1-Naphthalenyloxy)-1-phenyl-1-propanone,
FT-0672616,
3-[(Naphthalen-1-yl)oxy]-1-phenylpropan-1-one,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.335g/mol |
| Monoisotopic Mass | 276.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
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Certificate of Analysis
Lot Number