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5-(but-2-yn-1-yloxy)pyrazine-2-carboxylic acid

5-(but-2-yn-1-yloxy)pyrazine-2-carboxylic acid

Formula: C9H8N2O3

SMILES: CC#CCOC1=NC=C(N=C1)C(O)=O

IUPAC: 5-(but-2-yn-1-yloxy)pyrazine-2-carboxylic acid

InChI: InChI=1S/C9H8N2O3/c1-2-3-4-14-8-6-10-7(5-11-8)9(12)13/h5-6H,4H2,1H3,(H,12,13)

Composition: C (56.25%), H (4.20%), N (14.58%), O (24.98%)

Molar Mass: 192.174

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.053492126
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey QSNRRNZDIVGNGE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.49
Topological Polar Surface Area 72.31
Polarizability 17.92
Ring Count 1
Rotatable Bond Count 4

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