| CAS Number | 863921-57-7 |
| Catalog Number | AG008GG6(AGN-PC-0LF8SY) |
| Chemical Name | 3-(6-methoxypyridin-3-yl)benzoic Acid |
| IUPAC Name | 3-(6-methoxypyridin-3-yl)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c1-17-12-6-5-11(8-14-12)9-3-2-4-10(7-9)13(15)16/h2-8H,1H3,(H,15,16) |
| InChI Key | QFMUHRGHSOZYJH-UHFFFAOYSA-N |
| MDL Number | MFCD06801889 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | COc1ccc(cn1)c1cccc(c1)C(=O)O |
| Synonyms | 3-(6-methoxypyridin-3-yl)benzoic Acid,
863921-57-7,
3-(6-methoxy-3-pyridinyl)benzoic acid,
AC1NGFVW,
ACMC-209q9k,
SCHEMBL19127315,
DTXSID10405446,
ZINC6715205,
ANW-38310,
MFCD06801889,
AKOS004117479,
AJ-56727,
AX8242312,
BC4333002,
TC-127055,
BB 0222829,
V8193,
B-8653,
C13H11NO3,
3-(6-Methoxypyridin-3-yl)benzoicacid,
CID4674261,
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| Complexity | 269 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.235g/mol |
| Monoisotopic Mass | 229.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^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