| CAS Number | 1304254-44-1 |
| Catalog Number | AG01A46M |
| Chemical Name | 2-{3-[(pyridin-3-yl)methoxy]phenyl}acetic acid |
| IUPAC Name | 2-[3-(pyridin-3-ylmethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C14H13NO3/c16-14(17)8-11-3-1-5-13(7-11)18-10-12-4-2-6-15-9-12/h1-7,9H,8,10H2,(H,16,17) |
| InChI Key | FJKRHKFGHZFNJT-UHFFFAOYSA-N |
| MDL Number | MFCD13481304 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | OC(CC1=CC(OCC2=CN=CC=C2)=CC=C1)=O |
| Synonyms | 2-[3-(pyridin-3-ylmethoxy)phenyl]acetic acid,
1304254-44-1,
MFCD13481304,
ZINC42417269,
AKOS010658059,
MCULE-2989955237,
NE35488,
2-{3-[(pyridin-3-yl)methoxy]phenyl}acetic acid,
Z1544737308,
|
| Complexity | 270 |
| 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
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