| CAS Number | 107223-69-8 |
| Catalog Number | AG00HAY8(AGN-PC-00NYGO) |
| Chemical Name | 2-(3-Hydroxyphenoxy)acetonitrile |
| IUPAC Name | 2-(3-hydroxyphenoxy)acetonitrile |
| InChI | InChI=1S/C8H7NO2/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6,10H,5H2 |
| InChI Key | MARACIAZIFNFQN-UHFFFAOYSA-N |
| MDL Number | MFCD11181964 |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.1467 |
| SMILES | OC1=CC(OCC#N)=CC=C1 |
| Synonyms | 2-(3-Hydroxyphenoxy)acetonitrile,
107223-69-8,
Acetonitrile, (3-hydroxyphenoxy)-,
ZINC36896971,
AKOS009315878,
2-(3-Hydroxyphenoxy)-acetonitrile,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.149g/mol |
| Monoisotopic Mass | 149.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number