| CAS Number | 1016536-66-5 |
| Catalog Number | AG019XBF |
| Chemical Name | 2-(3-Cyanophenoxy)propanoic acid |
| IUPAC Name | 2-(3-cyanophenoxy)propanoic acid |
| InChI | InChI=1S/C10H9NO3/c1-7(10(12)13)14-9-4-2-3-8(5-9)6-11/h2-5,7H,1H3,(H,12,13) |
| InChI Key | ZFWVOQTUWNNAIQ-UHFFFAOYSA-N |
| MDL Number | MFCD09804773 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | C(#N)C=1C=C(OC(C(=O)O)C)C=CC1 |
| Synonyms | 2-(3-cyanophenoxy)propanoic acid,
1016536-66-5,
AC1Q2BZ2,
CTK7C8573,
AKOS000151975,
AKOS016893845,
MCULE-9842540254,
NE48736,
EN300-54579,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number