| CAS Number | 613656-15-8 |
| Catalog Number | AG019KNC(AGN-PC-0LMZOA) |
| Chemical Name | 2-[4-(4-methylphenoxy)phenoxy]acetic acid |
| IUPAC Name | 2-[4-(4-methylphenoxy)phenoxy]acetic acid |
| InChI | InChI=1S/C15H14O4/c1-11-2-4-13(5-3-11)19-14-8-6-12(7-9-14)18-10-15(16)17/h2-9H,10H2,1H3,(H,16,17) |
| InChI Key | XUBGSSRLWMAMRA-UHFFFAOYSA-N |
| MDL Number | MFCD06260638 |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.2693 |
| SMILES | CC1=CC=C(OC2=CC=C(OCC(O)=O)C=C2)C=C1 |
| Synonyms | 2-[4-(4-methylphenoxy)phenoxy]acetic Acid,
613656-15-8,
[4-(4-methylphenoxy)phenoxy]acetic acid,
AC1NOXWD,
AC1Q2MQX,
ZINC12505586,
AKOS000117968,
MCULE-2950587566,
NE44496,
EN300-27600,
Z235344285,
CID5120820,
|
| Complexity | 276 |
| 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 | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number