| CAS Number | 50596-41-3 |
| Catalog Number | AG01A146 |
| Chemical Name | 2-{4-[(pyridin-2-yl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C14H13NO3/c16-14(17)9-11-4-6-13(7-5-11)18-10-12-3-1-2-8-15-12/h1-8H,9-10H2,(H,16,17) |
| InChI Key | VBVVCMQQQFYMMJ-UHFFFAOYSA-N |
| MDL Number | MFCD15209541 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | OC(CC1=CC=C(OCC2=NC=CC=C2)C=C1)=O |
| Synonyms | 2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid,
50596-41-3,
SCHEMBL4013173,
ZINC19843618,
AKOS000210635,
MCULE-6128489018,
NE42080,
2-{4-[(pyridin-2-yl)methoxy]phenyl}acetic acid,
Z1424824772,
|
| Complexity | 262 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number