| CAS Number | 595576-44-6 |
| Catalog Number | AG00IAKN(AGN-PC-0ADVE7) |
| Chemical Name | Methyl 6-phenoxynicotinate |
| IUPAC Name | methyl 6-phenoxypyridine-3-carboxylate |
| InChI | InChI=1S/C13H11NO3/c1-16-13(15)10-7-8-12(14-9-10)17-11-5-3-2-4-6-11/h2-9H,1H3 |
| InChI Key | FDJSCKXMBLOCMJ-UHFFFAOYSA-N |
| MDL Number | MFCD06204181 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COC(=O)C1=CN=C(OC2=CC=CC=C2)C=C1 |
| Synonyms | Methyl 6-phenoxynicotinate,
595576-44-6,
methyl 6-phenoxypyridine-3-carboxylate,
SCHEMBL3586183,
FDJSCKXMBLOCMJ-UHFFFAOYSA-N,
6-Phenoxynicotinic Acid Methyl Ester,
MFCD06204181,
ZINC44200139,
AKOS005363159,
MCULE-7899115538,
AS-30274,
3-Pyridinecarboxylic acid, 6-phenoxy-, methyl ester,
Z795631692,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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