5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid - CAS 957312-76-4
Catalog: |
BB059382 |
Product Name: |
5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid |
CAS: |
957312-76-4 |
Synonyms: |
5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid; 5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid; 5-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid; 5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylicacid |
IUPAC Name: | 5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid |
Description: | 5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid |
Molecular Weight: | 232.24 |
Molecular Formula: | C12H12N2O3 |
Canonical SMILES: | CN1C(=CC(=N1)C(=O)O)C2=CC=C(C=C2)OC |
InChI: | InChI=1S/C12H12N2O3/c1-14-11(7-10(13-14)12(15)16)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16) |
InChI Key: | SMMCMCIJHBQWLN-UHFFFAOYSA-N |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.08479225 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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