| CAS Number | 81113-09-9 |
| Catalog Number | AG01ANFA(AGN-PC-0UIPSS) |
| Chemical Name | 2-Methoxy-3-phenylpropanenitrile |
| IUPAC Name | 2-methoxy-3-phenylpropanenitrile |
| InChI | InChI=1S/C10H11NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3 |
| InChI Key | GGUDJFPKTKWDDA-UHFFFAOYSA-N |
| MDL Number | MFCD21684391 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | COC(C#N)CC1=CC=CC=C1 |
| Synonyms | 2-methoxy-3-phenylpropanenitrile,
81113-09-9,
methoxyhydrocinnamonitrile,
SCHEMBL3980781,
2-methoxy-3-phenyl-propionitrile,
AKOS015413826,
methoxy-2 phenyl-3 propane nitrile,
|
| Complexity | 164 |
| 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 | 3 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number