| CAS Number | 877874-61-8 |
| Catalog Number | AG00IERJ(AGN-PC-082NJ8) |
| Chemical Name | Methyl 4-(pyridin-3-yloxy)benzoate |
| IUPAC Name | methyl 4-pyridin-3-yloxybenzoate |
| InChI | InChI=1S/C13H11NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-9H,1H3 |
| InChI Key | NCGXAKPNWPIEJG-UHFFFAOYSA-N |
| MDL Number | MFCD16040126 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COC(C1=CC=C(OC2=CN=CC=C2)C=C1)=O |
| Synonyms | methyl 4-(pyridin-3-yloxy)benzoate,
877874-61-8,
AC1Q43HE,
SCHEMBL3530054,
DTXSID10677626,
NCGXAKPNWPIEJG-UHFFFAOYSA-N,
methyl 4-(pyridine-3-yloxy)benzoate,
ZINC47844034,
AKOS016013378,
MCULE-3517959124,
Methyl 4-[(pyridin-3-yl)oxy]benzoate,
NE26336,
AJ-110875,
EN300-62107,
Benzoic acid, 4-(3-pyridinyloxy)-, methyl ester,
Z851955536,
Methyl4-(pyridin-3-yloxy)benzoate,
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| Complexity | 249 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number