| CAS Number | 1373232-69-9 |
| Catalog Number | AG00134I(AGN-PC-0J2C9J) |
| Chemical Name | Methyl 3-(5-methoxypyridin-3-yl)benzoate |
| IUPAC Name | methyl 3-(5-methoxypyridin-3-yl)benzoate |
| InChI | InChI=1S/C14H13NO3/c1-17-13-7-12(8-15-9-13)10-4-3-5-11(6-10)14(16)18-2/h3-9H,1-2H3 |
| InChI Key | CQXFMTADGDSFSW-UHFFFAOYSA-N |
| MDL Number | MFCD22192484 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | COc1cncc(c1)c1cccc(c1)C(=O)OC |
| Synonyms | Methyl 3-(5-methoxypyridin-3-yl)benzoate,
1373232-69-9,
ACMC-209cbn,
CTK8B0609,
DTXSID70742945,
ANW-20241,
MFCD22192484,
ZINC85210081,
CJ-22230,
AJ-126414,
AX8243121,
TC-108986,
V2695,
B-8639,
Benzoic acid, 3-(5-methoxy-3-pyridinyl)-, methyl ester,
C14H13NO3,
Methyl3-(5-methoxypyridin-3-yl)benzoate,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number