| CAS Number | 160984-14-5 |
| Catalog Number | AG019HWE(AGN-PC-0KFNM6) |
| Chemical Name | 2-(4-Acetylphenoxy)acetonitrile |
| IUPAC Name | 2-(4-acetylphenoxy)acetonitrile |
| InChI | InChI=1S/C10H9NO2/c1-8(12)9-2-4-10(5-3-9)13-7-6-11/h2-5H,7H2,1H3 |
| InChI Key | LMPOOCSNZQWRBX-UHFFFAOYSA-N |
| MDL Number | MFCD03964708 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | CC(C1=CC=C(OCC#N)C=C1)=O |
| Synonyms | 2-(4-acetylphenoxy)acetonitrile,
160984-14-5,
(4-Acetyl-phenoxy)-acetonitrile,
AC1M5SIP,
AC1Q1JTU,
SCHEMBL8421926,
CTK7D0640,
ZINC3268275,
AKOS000203227,
MCULE-1753482328,
NE24498,
EN300-04902,
Z53791514,
acetonitrile, 2-(4-acetylphenoxy)-,
ZINC03268275,
CID2384621,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number