| CAS Number | 209785-11-5 |
| Catalog Number | AG01BB5R(AGN-PC-0WOMM8) |
| Chemical Name | 2-(Pyridin-3-ylmethoxy)acetic acid |
| IUPAC Name | 2-(pyridin-3-ylmethoxy)acetic acid |
| InChI | InChI=1S/C8H9NO3/c10-8(11)6-12-5-7-2-1-3-9-4-7/h1-4H,5-6H2,(H,10,11) |
| InChI Key | ZDVKIFPPXUCCEW-UHFFFAOYSA-N |
| MDL Number | MFCD20658201 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | OC(COCC1=CN=CC=C1)=O |
| Synonyms | 2-(pyridin-3-ylmethoxy)acetic acid,
209785-11-5,
SCHEMBL361358,
(pyridin-3-ylmethoxy)acetic acid,
ZINC77262232,
AKOS005067125,
2-[(pyridin-3-yl)methoxy]acetic acid,
Acetic acid, 2-(3-pyridinylmethoxy)-,
FT-0696957,
Z2082999683,
2-(3-pyridinylmethoxy)Acetic acid,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number