| CAS Number | 926199-29-3 |
| Catalog Number | AG019XMY |
| Chemical Name | 2-[4-(Cyanomethyl)phenoxy]acetic acid |
| IUPAC Name | 2-[4-(cyanomethyl)phenoxy]acetic acid |
| InChI | InChI=1S/C10H9NO3/c11-6-5-8-1-3-9(4-2-8)14-7-10(12)13/h1-4H,5,7H2,(H,12,13) |
| InChI Key | YMTHHVYLFBCCKS-UHFFFAOYSA-N |
| MDL Number | MFCD09047257 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | C1=CC(=CC=C1CC#N)OCC(=O)O |
| Synonyms | 2-[4-(cyanomethyl)phenoxy]acetic acid,
926199-29-3,
CTK7C9774,
AC1Q7662,
ZINC21969285,
AKOS000131136,
MCULE-7951387700,
NE57722,
EN300-55431,
Z359701546,
|
| Complexity | 235 |
| 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 | 4 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number