| CAS Number | 81639-86-3 |
| Catalog Number | AG01B9HD |
| Chemical Name | 4-(4-methoxyphenyl)-3-methylbut-2-enenitrile |
| IUPAC Name | 4-(4-methoxyphenyl)-3-methylbut-2-enenitrile |
| InChI | InChI=1S/C12H13NO/c1-10(7-8-13)9-11-3-5-12(14-2)6-4-11/h3-7H,9H2,1-2H3 |
| InChI Key | BWWRTYVDJUFGMI-UHFFFAOYSA-N |
| MDL Number | MFCD18306098 |
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.2377 |
| SMILES | COc1ccc(cc1)CC(=CC#N)C |
| Synonyms | 4-(4-methoxyphenyl)-3-methylbut-2-enenitrile,
81639-86-3,
479257-54-0,
AKOS017352415,
Z2027049555,
2-Butenenitrile, 4-(4-methoxyphenyl)-3-methyl- (9CI),
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.242g/mol |
| Monoisotopic Mass | 187.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
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