| CAS Number | 945473-82-5 |
| Catalog Number | AG019V3B(AGN-PC-0161NX) |
| Chemical Name | 3-(Pyridin-3-ylmethoxy)benzoic acid |
| IUPAC Name | 3-(pyridin-3-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C13H11NO3/c15-13(16)11-4-1-5-12(7-11)17-9-10-3-2-6-14-8-10/h1-8H,9H2,(H,15,16) |
| InChI Key | MOEOUPZPWRMGFV-UHFFFAOYSA-N |
| MDL Number | MFCD09730843 |
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.2313 |
| SMILES | N1=CC(=CC=C1)COC=1C=C(C(=O)O)C=CC1 |
| Synonyms | 3-(pyridin-3-ylmethoxy)benzoic acid,
945473-82-5,
AC1Q733Q,
SCHEMBL18906065,
CTK7I8734,
DTXSID20588436,
MFCD09730843,
ZINC22170843,
AKOS000142094,
MCULE-2635955714,
NE24799,
3-[(Pyridin-3-yl)methoxy]benzoic acid,
AJ-81209,
SC-54082,
EN300-43605,
3-(Pyridin-3-ylmethoxy)benzoicacid,
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| Complexity | 257 |
| 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 | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number