| CAS Number | 791067-67-9 |
| Catalog Number | AG01A9VB |
| Chemical Name | 3-[(4-methoxyphenyl)methoxy]propanenitrile |
| IUPAC Name | 3-[(4-methoxyphenyl)methoxy]propanenitrile |
| InChI | InChI=1S/C11H13NO2/c1-13-11-5-3-10(4-6-11)9-14-8-2-7-12/h3-6H,2,8-9H2,1H3 |
| InChI Key | UTGYCIADJUQLBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11147568 |
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.2264 |
| SMILES | COC1=CC=C(COCCC#N)C=C1 |
| Synonyms | 3-[(4-methoxyphenyl)methoxy]propanenitrile,
791067-67-9,
AC1Q4CU6,
ZINC19965657,
AKOS000247167,
MCULE-8279715716,
NE14995,
EN300-66268,
Z1259339745,
|
| Complexity | 189 |
| 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 | 5 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number