| CAS Number | 53313-93-2 |
| Catalog Number | AG01FM6E(AGN-PC-0SEXSF) |
| Chemical Name | Benzeneacetonitrile, a-hydroxy-2-methoxy- |
| IUPAC Name | 2-hydroxy-2-(2-methoxyphenyl)acetonitrile |
| InChI | InChI=1S/C9H9NO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,1H3 |
| InChI Key | UYOPHIQZIDOLKF-UHFFFAOYSA-N |
| MDL Number | MFCD12169100 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | OC(C#N)C1=C(C=CC=C1)OC |
| Synonyms | 2-hydroxy-2-(2-methoxyphenyl)acetonitrile,
2-Hydroxy-(2-methoxy-phenyl)-acetonitrile,
53313-93-2,
AC1LA7QO,
2-Methoxymandelsaurenitril,
SCHEMBL1199570,
CTK7C5327,
AKOS009157588,
(Hydroxy)[2-(methyloxy)phenyl]acetonitrile,
FT-0731097,
L-273552,
L-273,552,
AIDS104542,
CID483124,
1776-12-1,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number