| CAS Number | 2007930-94-9 |
| Catalog Number | AG01DTNG |
| Chemical Name | 3-(6-Methoxy-1h-indol-3-yl)-acrylic acid ethyl ester |
| IUPAC Name | ethyl (E)-3-(6-methoxy-1H-indol-3-yl)prop-2-enoate |
| InChI | InChI=1S/C14H15NO3/c1-3-18-14(16)7-4-10-9-15-13-8-11(17-2)5-6-12(10)13/h4-9,15H,3H2,1-2H3/b7-4+ |
| InChI Key | NSJQTEWTTKBOKW-QPJJXVBHSA-N |
| MDL Number | MFCD30471760 |
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.2738 |
| SMILES | CCOC(=O)/C=C/c1c[nH]c2c1ccc(c2)OC |
| Synonyms | 3-(6-Methoxy-1H-indol-3-yl)-acrylic acid ethyl ester,
2007930-94-9,
MFCD30471760,
AKOS030627921,
ZINC306134575,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 245.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.278g/mol |
| Monoisotopic Mass | 245.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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