| CAS Number | 115109-49-4 |
| Catalog Number | AG019PHW(AGN-PC-0K270S) |
| Chemical Name | (4-Cyano-2-methoxyphenoxy)acetic acid |
| IUPAC Name | 2-(4-cyano-2-methoxyphenoxy)acetic acid |
| InChI | InChI=1S/C10H9NO4/c1-14-9-4-7(5-11)2-3-8(9)15-6-10(12)13/h2-4H,6H2,1H3,(H,12,13) |
| InChI Key | GNPBJHOKFMAJDI-UHFFFAOYSA-N |
| MDL Number | MFCD01466078 |
| Molecular Formula | C10H9NO4 |
| Molecular Weight | 207.1828 |
| SMILES | COC1=C(OCC(O)=O)C=CC(C#N)=C1 |
| Synonyms | 2-(4-cyano-2-methoxyphenoxy)acetic acid,
(4-cyano-2-methoxyphenoxy)acetic acid,
115109-49-4,
AC1LOHQR,
SCHEMBL10419985,
CTK6J5175,
GNPBJHOKFMAJDI-UHFFFAOYSA-N,
AC1Q4761,
ZINC5526671,
STK400390,
AKOS000264292,
MCULE-2549916956,
NE18107,
2-(2-methoxy-4-cyanophenoxy)-acetic acid,
ST45146844,
EN300-23721,
CID1220958,
2-(4-cyano-2-methoxy-phenoxy)acetic Acid,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.185g/mol |
| Monoisotopic Mass | 207.053g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number