| CAS Number | 21244-81-5 |
| Catalog Number | AG019YC5 |
| Chemical Name | 2-(2,6-Dimethoxyphenoxy)acetonitrile |
| IUPAC Name | 2-(2,6-dimethoxyphenoxy)acetonitrile |
| InChI | InChI=1S/C10H11NO3/c1-12-8-4-3-5-9(13-2)10(8)14-7-6-11/h3-5H,7H2,1-2H3 |
| InChI Key | QDAOLZRIBDCHRR-UHFFFAOYSA-N |
| MDL Number | MFCD09906435 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | COC1=C(OCC#N)C(OC)=CC=C1 |
| Synonyms | 2-(2,6-dimethoxyphenoxy)acetonitrile,
21244-81-5,
SCHEMBL7409240,
(2,6-dimethoxyphenoxy)acetonitrile,
ZINC11834412,
AKOS000190346,
MCULE-3075673653,
NE21072,
Z1346370773,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number