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3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

CAS: 849925-05-9

Formula: C9H8N4O3

SMILES: OC(=O)CCC1=NC(=NO1)C1=NC=CN=C1

IUPAC: 3-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

InChI: InChI=1S/C9H8N4O3/c14-8(15)2-1-7-12-9(13-16-7)6-5-10-3-4-11-6/h3-5H,1-2H2,(H,14,15)

Composition: C (49.09%), H (3.66%), N (25.45%), O (21.80%)

Molar Mass: 220.188

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 220.059640134
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey DMKXMTRMGQYKFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.73
Topological Polar Surface Area 102
Polarizability 20.11
Ring Count 2
Rotatable Bond Count 4

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98% <7 Days 849925-05-9 $153.18-$245.30$153.18$245.30
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95% <2 Days 849925-05-9 $51.35-$674.07$51.35$63.37$86.31$374.73$674.07
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