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3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanoic acid

3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanoic acid

CAS: 1000339-20-7

Formula: C10H12N4O2

SMILES: CC1=NN2C=NN=C2C(C)=C1CCC(O)=O

IUPAC: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanoic acid

InChI: InChI=1S/C10H12N4O2/c1-6-8(3-4-9(15)16)7(2)13-14-5-11-12-10(6)14/h5H,3-4H2,1-2H3,(H,15,16)

Composition: C (54.54%), H (5.49%), N (25.44%), O (14.53%)

Molar Mass: 220.232

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.096025642
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey DGACMJHUIBPMDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.53
Topological Polar Surface Area 80.38
Polarizability 21.16
Ring Count 2
Rotatable Bond Count 3

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OTAVA LTD.
Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 1000339-20-7 $351.90-$970.66$351.90$494.62$733.13$970.66
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MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1000339-20-7 $171.12$171.12
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