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5-(2-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

5-(2-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

CAS: 899710-38-4

Formula: C14H16N2O3

SMILES: CCCCOC1=C(C=CC=C1)C1=CC(=NN1)C(O)=O

IUPAC: 5-(2-butoxyphenyl)-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C14H16N2O3/c1-2-3-8-19-13-7-5-4-6-10(13)11-9-12(14(17)18)16-15-11/h4-7,9H,2-3,8H2,1H3,(H,15,16)(H,17,18)

Composition: C (64.60%), H (6.20%), N (10.76%), O (18.44%)

Molar Mass: 260.293

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.116092383
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QIQCBXKHCDZQHH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.98
Topological Polar Surface Area 75.21
Polarizability 28.46
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 899710-38-4 $51.35-$1,580.85$51.35$63.37$86.31$235.98$1,119.81$1,580.85
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MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 899710-38-4 $201.07-$329.41$201.07$329.41
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