| CAS Number | 949980-40-9 |
| Catalog Number | AG019L44 |
| Chemical Name | 2-[4-(pyridin-2-yloxy)phenoxy]acetic acid |
| IUPAC Name | 2-(4-pyridin-2-yloxyphenoxy)acetic acid |
| InChI | InChI=1S/C13H11NO4/c15-13(16)9-17-10-4-6-11(7-5-10)18-12-3-1-2-8-14-12/h1-8H,9H2,(H,15,16) |
| InChI Key | PRUVYXVNYCDREU-UHFFFAOYSA-N |
| MDL Number | MFCD09863292 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | OC(COC1=CC=C(OC2=NC=CC=C2)C=C1)=O |
| Synonyms | 2-[4-(pyridin-2-yloxy)phenoxy]acetic acid,
949980-40-9,
[4-(pyridin-2-yloxy)phenoxy]acetic acid,
AC1Q766D,
SCHEMBL17946056,
ZINC12609363,
AKOS008103752,
MCULE-6029578907,
NE21190,
EN300-29762,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number