| CAS Number | 64400-49-3 |
| Catalog Number | AG00EV3X(AGN-PC-0KRWMU) |
| Chemical Name | 4-Methoxy-2,5-dimethylbenzonitrile |
| IUPAC Name | 4-methoxy-2,5-dimethylbenzonitrile |
| InChI | InChI=1S/C10H11NO/c1-7-5-10(12-3)8(2)4-9(7)6-11/h4-5H,1-3H3 |
| InChI Key | ZYHLPXFNLCESEI-UHFFFAOYSA-N |
| MDL Number | MFCD00053416 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | O(C1(=C(C=C(C#N)C(=C1)C)C))C |
| Synonyms | 4-methoxy-2,5-dimethylbenzonitrile,
64400-49-3,
2,5-Dimethyl-p-anisonitrile,
2,5-Dimethyl-4-methoxybenzonitrile,
4-Methoxy-2.5-dimethylbenzonitril,
4-methoxy-2,5-dimethyl-benzonitrile,
AC1MMW94,
SCHEMBL13387367,
DTXSID30391130,
ZINC394691,
KS-00003T4C,
MFCD00053416,
AKOS006243106,
MCULE-5509922907,
TS-02148,
CID3292637,
|
| Complexity | 193 |
| 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 | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number