| CAS Number | 893740-67-5 |
| Catalog Number | AG003WGD(AGN-PC-0WAAQG) |
| Chemical Name | 5-(3-Benzyloxyphenyl)nicotinic acid |
| IUPAC Name | 5-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C19H15NO3/c21-19(22)17-9-16(11-20-12-17)15-7-4-8-18(10-15)23-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,21,22) |
| InChI Key | ZGYYOXUXEQFTPJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802764 |
| Molecular Formula | C19H15NO3 |
| Molecular Weight | 305.3273 |
| SMILES | OC(=O)c1cncc(c1)c2cccc(OCc3ccccc3)c2 |
| Synonyms | 893740-67-5,
5-(3-(Benzyloxy)phenyl)nicotinic acid,
5-(3-Benzyloxyphenyl)nicotinic acid,
5-[3-(Benzyloxy)phenyl]nicotinic acid,
ACMC-209r10,
CTK8B2631,
DTXSID80602521,
ANW-39298,
MFCD06802764,
ZINC16948094,
AKOS004113294,
AJ-69772,
AX8229958,
TC-128043,
BB 0223915,
ST24023728,
V8814,
5-[3-(Benzyloxy)phenyl]pyridine-3-carboxylic acid,
C19H15NO3,
5-(3-(Benzyloxy)phenyl)nicotinicacid,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.333g/mol |
| Monoisotopic Mass | 305.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number