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2-methylpyrazolo[1,5-b]pyridazine-3-carboxylic acid

2-methylpyrazolo[1,5-b]pyridazine-3-carboxylic acid

CAS: 53902-81-1

Formula: C8H7N3O2

SMILES: CC1=NN2N=CC=CC2=C1C(O)=O

IUPAC: 2-methylpyrazolo[1,5-b]pyridazine-3-carboxylic acid

InChI: InChI=1S/C8H7N3O2/c1-5-7(8(12)13)6-3-2-4-9-11(6)10-5/h2-4H,1H3,(H,12,13)

Composition: C (54.24%), H (3.98%), N (23.72%), O (18.06%)

Molar Mass: 177.163

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 177.053826477
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XDQNHPWJUJTRMS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.75
Topological Polar Surface Area 67.49
Polarizability 17.2
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 53902-81-1 $215.05-$951.05$215.05$951.05
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