| CAS Number | 1233382-94-9 |
| Catalog Number | AG01C7DM |
| Chemical Name | N-(4-Ethynylphenyl)-2-propenamide |
| IUPAC Name | N-(4-ethynylphenyl)prop-2-enamide |
| InChI | InChI=1S/C11H9NO/c1-3-9-5-7-10(8-6-9)12-11(13)4-2/h1,4-8H,2H2,(H,12,13) |
| InChI Key | TYWHWZBTVJILQU-UHFFFAOYSA-N |
| MDL Number | MFCD24567009 |
| Molecular Formula | C11H9NO |
| Molecular Weight | 171.1953 |
| SMILES | C=CC(NC1=CC=C(C#C)C=C1)=O |
| Synonyms | N-(4-ethynylphenyl)acrylamide,
N-(4-ethynylphenyl)-2-propenamide,
1233382-94-9,
SCHEMBL1497375,
TYWHWZBTVJILQU-UHFFFAOYSA-N,
AKOS034076391,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.199g/mol |
| Monoisotopic Mass | 171.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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