3-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid - CAS 879996-71-1
Catalog: |
BB038712 |
Product Name: |
3-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid |
CAS: |
879996-71-1 |
Synonyms: |
5-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 5-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid |
Description: | 3-(3-Methoxyphenyl)-1H-pyrazole-4-carboxylic acid (CAS# 879996-71-1) is a useful research chemical. |
Molecular Weight: | 218.21 |
Molecular Formula: | C11H10N2O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C2=C(C=NN2)C(=O)O |
InChI: | InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)10-9(11(14)15)6-12-13-10/h2-6H,1H3,(H,12,13)(H,14,15) |
InChI Key: | VVUVPSNFYCNORL-UHFFFAOYSA-N |
Boiling Point: | 448.8 °C at 760 mmHg |
Density: | 1.34 g/cm3 |
LogP: | 1.78350 |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.06914219 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 75.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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