| CAS Number | 2140305-29-7 |
| Catalog Number | AG01EHB2(AGN-PC-3H45GB) |
| Chemical Name | 5-(Dimethoxymethyl)Pyridine-3-Carboxylic Acid |
| IUPAC Name | 5-(dimethoxymethyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H11NO4/c1-13-9(14-2)7-3-6(8(11)12)4-10-5-7/h3-5,9H,1-2H3,(H,11,12) |
| InChI Key | JFURFDAJPRBKND-UHFFFAOYSA-N |
| MDL Number | MFCD30834452 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | COC(c1cncc(c1)C(=O)O)OC |
| Synonyms | 5-(Dimethoxymethyl)pyridine-3-carboxylic acid,
2140305-29-7,
5-(Dimethoxymethyl)nicotinic acid,
CS-0091004,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number