| CAS Number | 7048-42-2 |
| Catalog Number | AG006856(AGN-PC-0LK97L) |
| Chemical Name | 2-(2-methoxy-5-methylphenyl)acetonitrile |
| IUPAC Name | 2-(2-methoxy-5-methylphenyl)acetonitrile |
| InChI | InChI=1S/C10H11NO/c1-8-3-4-10(12-2)9(7-8)5-6-11/h3-4,7H,5H2,1-2H3 |
| InChI Key | PNSVXFHBPNXSFB-UHFFFAOYSA-N |
| MDL Number | MFCD07310147 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | COC1=C(CC#N)C=C(C)C=C1 |
| Synonyms | 7048-42-2,
2-(2-methoxy-5-methylphenyl)acetonitrile,
(2-methoxy-5-methylphenyl)acetonitrile,
AC1NLQS8,
AC1Q45CD,
SCHEMBL5479089,
CTK5D2487,
DTXSID00407116,
ZINC4206791,
AKOS009013071,
MCULE-8881489346,
NE20803,
Benzeneacetonitrile, 2-methoxy-5-methyl-,
EN300-13607,
Z94597857,
ZINC04206791,
CID4962535,
(2-methoxy-5-methylphenyl)-acetonitrile,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number