| CAS Number | 1247474-36-7 |
| Catalog Number | AG01AA7N |
| Chemical Name | 2-(4-Formylphenoxy)propanenitrile |
| IUPAC Name | 2-(4-formylphenoxy)propanenitrile |
| InChI | InChI=1S/C10H9NO2/c1-8(6-11)13-10-4-2-9(7-12)3-5-10/h2-5,7-8H,1H3 |
| InChI Key | QNECGSPKRWDDLX-UHFFFAOYSA-N |
| MDL Number | MFCD16040524 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | CC(OC1=CC=C(C=O)C=C1)C#N |
| Synonyms | 2-(4-formylphenoxy)propanenitrile,
1247474-36-7,
AC1Q2C05,
AKOS008949275,
NE38704,
EN300-67353,
Z54191100,
|
| Complexity | 210 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number