| CAS Number | 75920-44-4 |
| Catalog Number | AG01EJR8 |
| Chemical Name | 2-(3-methylphenyl)propanenitrile |
| IUPAC Name | 2-(3-methylphenyl)propanenitrile |
| InChI | InChI=1S/C10H11N/c1-8-4-3-5-10(6-8)9(2)7-11/h3-6,9H,1-2H3 |
| InChI Key | RMGYNPBCMHKZCJ-UHFFFAOYSA-N |
| MDL Number | MFCD11036538 |
| Molecular Formula | C10H11N |
| Molecular Weight | 145.2010 |
| SMILES | CC(C1=CC(C)=CC=C1)C#N |
| Synonyms | 2-M-TOLYLPROPANENITRILE,
SCHEMBL6557765,
2-(3-methylphenyl)propanenitrile,
A810342,
75920-44-4,
16213-85-7,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.205g/mol |
| Monoisotopic Mass | 145.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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