6-(3,4-Dimethoxyphenyl)nicotinic Acid - CAS 887976-58-1
Catalog: |
BB039235 |
Product Name: |
6-(3,4-Dimethoxyphenyl)nicotinic Acid |
CAS: |
887976-58-1 |
Synonyms: |
6-(3,4-dimethoxyphenyl)-3-pyridinecarboxylic acid; 6-(3,4-dimethoxyphenyl)pyridine-3-carboxylic acid |
IUPAC Name: | 6-(3,4-dimethoxyphenyl)pyridine-3-carboxylic acid |
Description: | 6-(3,4-Dimethoxyphenyl)nicotinic Acid (CAS# 887976-58-1 ) is a useful research chemical. |
Molecular Weight: | 259.26 |
Molecular Formula: | C14H13NO4 |
Canonical SMILES: | COC1=C(C=C(C=C1)C2=NC=C(C=C2)C(=O)O)OC |
InChI: | InChI=1S/C14H13NO4/c1-18-12-6-4-9(7-13(12)19-2)11-5-3-10(8-15-11)14(16)17/h3-8H,1-2H3,(H,16,17) |
InChI Key: | HXCROKINVGYOPV-UHFFFAOYSA-N |
LogP: | 2.46400 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.0844579 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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