| CAS Number | 757192-64-6 |
| Catalog Number | AG019JQ0 |
| Chemical Name | 3-Methoxy-4-(propan-2-yloxy)benzonitrile |
| IUPAC Name | 3-methoxy-4-propan-2-yloxybenzonitrile |
| InChI | InChI=1S/C11H13NO2/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-6,8H,1-3H3 |
| InChI Key | CMXCYYYLNXSFAL-UHFFFAOYSA-N |
| MDL Number | MFCD02256140 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COC1=C(OC(C)C)C=CC(C#N)=C1 |
| Synonyms | 3-methoxy-4-(propan-2-yloxy)benzonitrile,
4-isopropoxy-3-methoxybenzonitrile,
757192-64-6,
4-isopropoxy-3-methoxy-benzonitrile,
AC1M1KE9,
SCHEMBL524383,
CTK6J5152,
CMXCYYYLNXSFAL-UHFFFAOYSA-N,
AC1Q4829,
ZINC2661383,
AKOS000198600,
MCULE-2858402648,
NE39403,
3-methoxy-4-propan-2-yloxybenzonitrile,
EN300-10090,
Z54550648,
ZINC02661383,
CID2125297,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.23g/mol |
| Monoisotopic Mass | 191.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number