| CAS Number | 61000-23-5 |
| Catalog Number | AG01DTFP(AGN-PC-069E7L) |
| Chemical Name | 2-(4-Methoxy-2,6-dimethylphenyl)acetonitrile |
| IUPAC Name | 2-(4-methoxy-2,6-dimethylphenyl)acetonitrile |
| InChI | InChI=1S/C11H13NO/c1-8-6-10(13-3)7-9(2)11(8)4-5-12/h6-7H,4H2,1-3H3 |
| InChI Key | HSOYUTHESHEZJL-UHFFFAOYSA-N |
| MDL Number | MFCD27926283 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | COC1=CC(=C(C(=C1)C)CC#N)C |
| Synonyms | 61000-23-5,
2-(4-Methoxy-2,6-dimethylphenyl)acetonitrile,
Benzeneacetonitrile, 4-methoxy-2,6-dimethyl-,
SCHEMBL5728530,
AKOS023537859,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number