| CAS Number | 244123-12-4 |
| Catalog Number | AG01ABJ8(AGN-PC-0NB6ZU) |
| Chemical Name | 2-[2-(Benzyloxy)phenoxy]acetic acid |
| IUPAC Name | 2-(2-phenylmethoxyphenoxy)acetic acid |
| InChI | InChI=1S/C15H14O4/c16-15(17)11-19-14-9-5-4-8-13(14)18-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17) |
| InChI Key | IBHAJLNHRQMSCL-UHFFFAOYSA-N |
| MDL Number | MFCD00598600 |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.2693 |
| SMILES | OC(COC1=C(OCC2=CC=CC=C2)C=CC=C1)=O |
| Synonyms | 2-[2-(benzyloxy)phenoxy]acetic acid,
244123-12-4,
AC1Q764W,
ZINC13189941,
AKOS034700324,
MCULE-5719621812,
NE11606,
EN300-71830,
Z91656599,
2-(2-phenylmethoxyphenoxy)acetic Acid,
CID10825079,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.273g/mol |
| Monoisotopic Mass | 258.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number