3-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid - CAS 1229025-67-5
Catalog: |
BB005601 |
Product Name: |
3-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid |
CAS: |
1229025-67-5 |
Synonyms: |
3-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid; 3-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid |
IUPAC Name: | 3-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid |
Description: | 3-(3,5-Dimethyl-4-pyrazolyl)benzoic Acid (CAS# 1229025-67-5 ) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CC1=C(C(=NN1)C)C2=CC(=CC=C2)C(=O)O |
InChI: | InChI=1S/C12H12N2O2/c1-7-11(8(2)14-13-7)9-4-3-5-10(6-9)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16) |
InChI Key: | JUMMUZIWYCEJRA-UHFFFAOYSA-N |
LogP: | 2.39170 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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