| CAS Number | 1289200-50-5 |
| Catalog Number | AG01C01Z |
| Chemical Name | 4-(dimethylamino)-3-formylbenzonitrile |
| IUPAC Name | 4-(dimethylamino)-3-formylbenzonitrile |
| InChI | InChI=1S/C10H10N2O/c1-12(2)10-4-3-8(6-11)5-9(10)7-13/h3-5,7H,1-2H3 |
| InChI Key | SWNJUFXEMPKNPP-UHFFFAOYSA-N |
| MDL Number | MFCD29119661 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CN(C1=C(C=O)C=C(C#N)C=C1)C |
| Synonyms | 4-(dimethylamino)-3-formylbenzonitrile,
1289200-50-5,
SCHEMBL15776655,
ZINC146346964,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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