4-Methoxy-3-[(4-methyl-1h-pyrazol-1-yl)methyl]benzoic acid - CAS 956208-03-0
Catalog: |
BB059363 |
Product Name: |
4-Methoxy-3-[(4-methyl-1h-pyrazol-1-yl)methyl]benzoic acid |
CAS: |
956208-03-0 |
Synonyms: |
4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]benzoic acid; 4-methoxy-3-[(4-methylpyrazol-1-yl)methyl]benzoic Acid; 4-Methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]-benzoic acid; 4-Methoxy-3-((4-methyl-1H-pyrazol-1-yl)methyl)benzoic acid |
IUPAC Name: | 4-methoxy-3-[(4-methylpyrazol-1-yl)methyl]benzoic acid |
Description: | 4-Methoxy-3-[(4-methyl-1h-pyrazol-1-yl)methyl]benzoic acid |
Molecular Weight: | 246.26 |
Molecular Formula: | C13H14N2O3 |
Canonical SMILES: | CC1=CN(N=C1)CC2=C(C=CC(=C2)C(=O)O)OC |
InChI: | InChI=1S/C13H14N2O3/c1-9-6-14-15(7-9)8-11-5-10(13(16)17)3-4-12(11)18-2/h3-7H,8H2,1-2H3,(H,16,17) |
InChI Key: | DEHJXUCBZZGBSA-UHFFFAOYSA-N |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.10044231 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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