5-(4-t-Butylphenyl)picolinic acid - CAS 1226273-30-8
Catalog: |
BB070963 |
Product Name: |
5-(4-t-Butylphenyl)picolinic acid |
CAS: |
1226273-30-8 |
Synonyms: |
5-(4-t-Butylphenyl)picolinic acid; 5-(4-tert-butylphenyl)pyridine-2-carboxylic acid; 5-(4-t-Butylphenyl)picolinicacid |
IUPAC Name: | 5-(4-tert-butylphenyl)pyridine-2-carboxylic acid |
Description: | 5-(4-t-Butylphenyl)picolinic acid |
Molecular Weight: | 255.31 |
Molecular Formula: | C16H17NO2 |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2=CN=C(C=C2)C(=O)O |
InChI: | InChI=1S/C16H17NO2/c1-16(2,3)13-7-4-11(5-8-13)12-6-9-14(15(18)19)17-10-12/h4-10H,1-3H3,(H,18,19) |
InChI Key: | BJFLUGXFKLHZGT-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.125928785 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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