| CAS Number | 1016749-80-6 |
| Catalog Number | AG019LP7 |
| Chemical Name | 2-(2-Cyanophenoxy)propanoic acid |
| IUPAC Name | 2-(2-cyanophenoxy)propanoic acid |
| InChI | InChI=1S/C10H9NO3/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h2-5,7H,1H3,(H,12,13) |
| InChI Key | YLFLLMBBLIDQNI-UHFFFAOYSA-N |
| MDL Number | MFCD09817033 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | CC(C(O)=O)OC1=C(C#N)C=CC=C1 |
| Synonyms | 2-(2-cyanophenoxy)propanoic acid,
1016749-80-6,
AC1Q2BYG,
CTK7C8806,
AKOS000159174,
AKOS016882712,
MCULE-9541119270,
NE38117,
EN300-32037,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number