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5-(4-methoxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxylic acid

5-(4-methoxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxylic acid

CAS: 1038912-36-5

Formula: C13H14N2O3

SMILES: COC1=C(C)C=C(C=C1C)C1=CC(=NN1)C(O)=O

IUPAC: 5-(4-methoxy-3,5-dimethylphenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C13H14N2O3/c1-7-4-9(5-8(2)12(7)18-3)10-6-11(13(16)17)15-14-10/h4-6H,1-3H3,(H,14,15)(H,16,17)

Composition: C (63.40%), H (5.73%), N (11.38%), O (19.49%)

Molar Mass: 246.266

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.100442319
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey SKPBEHUHVBALDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.19
Topological Polar Surface Area 75.21
Polarizability 26.46
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 1038912-36-5 $269.51$269.51
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