4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide - CAS 1330180-78-3
Catalog: |
BB060996 |
Product Name: |
4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide |
CAS: |
1330180-78-3 |
Synonyms: |
4-Hydroxy-3-methyl-2-pyridinecarboxylic Acid 1-Oxide |
IUPAC Name: | 1-hydroxy-3-methyl-4-oxopyridine-2-carboxylic acid |
Description: | 4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide (cas# 1330180-78-3) is a compound useful in organic synthesis. |
Molecular Weight: | 169.13 |
Molecular Formula: | C7H7NO4 |
Canonical SMILES: | CC1=C(N(C=CC1=O)O)C(=O)O |
InChI: | InChI=1S/C7H7NO4/c1-4-5(9)2-3-8(12)6(4)7(10)11/h2-3,12H,1H3,(H,10,11) |
InChI Key: | XAZSJHXJFNTOJA-UHFFFAOYSA-N |
Solubility: | DMSO |
Appearance: | Off-White Solid |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0375077 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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