| CAS Number | 15971-31-0 |
| Catalog Number | AG001RC2(AGN-PC-0CHC7D) |
| Chemical Name | ethyl 3-(4-methoxynaphthalen-1-yl)prop-2-enoate |
| IUPAC Name | ethyl (E)-3-(4-methoxynaphthalen-1-yl)prop-2-enoate |
| InChI | InChI=1S/C16H16O3/c1-3-19-16(17)11-9-12-8-10-15(18-2)14-7-5-4-6-13(12)14/h4-11H,3H2,1-2H3/b11-9+ |
| InChI Key | VBZWLZWCHZBRPA-PKNBQFBNSA-N |
| MDL Number | MFCD26142155 |
| Molecular Formula | C16H16O3 |
| Molecular Weight | 256.2964 |
| SMILES | CCOC(=O)C=Cc1ccc(c2c1cccc2)OC |
| Synonyms | ethyl 3-(4'-methoxy-1'-naphthyl)-2-propenoate,
15971-31-0,
2-Propenoic acid, 3-(4-methoxy-1-naphthalenyl)-, ethyl ester,
SCHEMBL12035855,
ZINC95930142,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 256.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.301g/mol |
| Monoisotopic Mass | 256.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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