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5-methyl-4-phenyl-1H-pyrazole-3-carboxylic acid

5-methyl-4-phenyl-1H-pyrazole-3-carboxylic acid

CAS: 94933-89-8

Formula: C11H10N2O2

SMILES: CC1=C(C(=NN1)C(O)=O)C1=CC=CC=C1

IUPAC: 5-methyl-4-phenyl-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)10(11(14)15)13-12-7/h2-6H,1H3,(H,12,13)(H,14,15)

Composition: C (65.34%), H (4.98%), N (13.85%), O (15.82%)

Molar Mass: 202.213

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 202.07422757
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DAAKPKWRIKQBQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.92
Topological Polar Surface Area 65.98
Polarizability 22.19
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 94933-89-8 $428.26-$657.69$428.26$428.26$524.40$524.40$657.69$657.69
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