4-(2,4-Dimethylphenyl)picolinic acid - CAS 1261967-40-1
Catalog: |
BB066801 |
Product Name: |
4-(2,4-Dimethylphenyl)picolinic acid |
CAS: |
1261967-40-1 |
Synonyms: |
4-(2,4-Dimethylphenyl)picolinic acid; 4-(2,4-DIMETHYLPHENYL)PYRIDINE-2-CARBOXYLIC ACID; 4-(2,4-Dimethylphenyl)picolinicacid |
IUPAC Name: | 4-(2,4-dimethylphenyl)pyridine-2-carboxylic acid |
Description: | 4-(2,4-Dimethylphenyl)picolinic acid |
Molecular Weight: | 227.25 |
Molecular Formula: | C14H13NO2 |
Canonical SMILES: | CC1=CC(=C(C=C1)C2=CC(=NC=C2)C(=O)O)C |
InChI: | InChI=1S/C14H13NO2/c1-9-3-4-12(10(2)7-9)11-5-6-15-13(8-11)14(16)17/h3-8H,1-2H3,(H,16,17) |
InChI Key: | UDARWLWTCNKGBU-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.094628657 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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