| CAS Number | 125418-90-8 |
| Catalog Number | AG019UC0(AGN-PC-0LGYPO) |
| Chemical Name | 2-(3-Formylphenoxy)acetonitrile |
| IUPAC Name | 2-(3-formylphenoxy)acetonitrile |
| InChI | InChI=1S/C9H7NO2/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6-7H,5H2 |
| InChI Key | HCIZCBYCDRJBSZ-UHFFFAOYSA-N |
| MDL Number | MFCD07431451 |
| Molecular Formula | C9H7NO2 |
| Molecular Weight | 161.1574 |
| SMILES | O=CC1=CC(OCC#N)=CC=C1 |
| Synonyms | 2-(3-formylphenoxy)acetonitrile,
3-(cyanomethoxy)benzaldehyde,
(3-formylphenoxy)acetonitrile,
125418-90-8,
AC1NHKXI,
AC1Q6PSW,
SCHEMBL2277043,
CTK7D0671,
HCIZCBYCDRJBSZ-UHFFFAOYSA-N,
ZINC19506962,
AKOS000190456,
(3-formylphenoxy)acetonitrile, AldrichCPR,
EN300-41207,
CID4766998,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.16g/mol |
| Monoisotopic Mass | 161.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number