| CAS Number | 757251-59-5 |
| Catalog Number | AG01AM0P(AGN-PC-0BY9PT) |
| Chemical Name | Methyl 4-(4-aminophenoxy)pyridine-2-carboxylate |
| IUPAC Name | methyl 4-(4-aminophenoxy)pyridine-2-carboxylate |
| InChI | InChI=1S/C13H12N2O3/c1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3 |
| InChI Key | LKNOOBDGFHXDIE-UHFFFAOYSA-N |
| MDL Number | MFCD20488937 |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.2460 |
| SMILES | COC(C1=NC=CC(OC2=CC=C(N)C=C2)=C1)=O |
| Synonyms | methyl 4-(4-aminophenoxy)pyridine-2-carboxylate,
757251-59-5,
SCHEMBL1642878,
LKNOOBDGFHXDIE-UHFFFAOYSA-N,
ZINC90738677,
AKOS015629672,
A1-11982,
Z2832013124,
4-(4-Amino-phenoxy)pyridine-2-carboxylic Acid Methyl Ester,
4-(4-aminophenoxy)pyridine-2-carboxylic acid methyl ester,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.25g/mol |
| Monoisotopic Mass | 244.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number