| CAS Number | 73864-61-6 |
| Catalog Number | AG01A5ZH |
| Chemical Name | 2-[4-(2-Hydroxyethoxy)phenyl]acetonitrile |
| IUPAC Name | 2-[4-(2-hydroxyethoxy)phenyl]acetonitrile |
| InChI | InChI=1S/C10H11NO2/c11-6-5-9-1-3-10(4-2-9)13-8-7-12/h1-4,12H,5,7-8H2 |
| InChI Key | VMBRYBBPGMAXEJ-UHFFFAOYSA-N |
| MDL Number | MFCD09940550 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | OCCOC1=CC=C(CC#N)C=C1 |
| Synonyms | 2-[4-(2-hydroxyethoxy)phenyl]acetonitrile,
73864-61-6,
SCHEMBL11234303,
VMBRYBBPGMAXEJ-UHFFFAOYSA-N,
ZINC19075596,
AKOS000183157,
p-(2-hydroxyethoxy)phenyl-acetonitrile,
MCULE-2949199673,
NE14651,
p-(2-Hydroxyethoxy)-phenylacetonitrile,
p-(2-hydroxyethoxy)-phenyl acetonitrile,
2-[4-(2-hydroxyethoxy)phenyl]ethanenitrile,
ST51045525,
Z359701416,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number