| CAS Number | 1020944-81-3 |
| Catalog Number | AG01A821 |
| Chemical Name | 2-[(4-Methoxyphenyl)Methoxy]Acetonitrile |
| IUPAC Name | 2-[(4-methoxyphenyl)methoxy]acetonitrile |
| InChI | InChI=1S/C10H11NO2/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5H,7-8H2,1H3 |
| InChI Key | OAWHYIVCYBJQAP-UHFFFAOYSA-N |
| MDL Number | MFCD11147566 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | N#CCOCC1=CC=C(OC)C=C1 |
| Synonyms | 2-[(4-methoxyphenyl)methoxy]acetonitrile,
EN300-60500,
1020944-81-3,
AC1Q4CTW,
CTK7A4123,
ZINC19965650,
AKOS000247073,
BBV-137628,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number