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6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS: 1315363-86-0

Formula: C8H4N4O2

SMILES: OC(=O)C1=C2N=CC(=CN2N=C1)C#N

IUPAC: 6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylic acid

InChI: InChI=1S/C8H4N4O2/c9-1-5-2-10-7-6(8(13)14)3-11-12(7)4-5/h2-4H,(H,13,14)

Composition: C (51.07%), H (2.14%), N (29.78%), O (17.01%)

Molar Mass: 188.146

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 188.033425385
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey MOKPOWWDCQRHBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.75
Topological Polar Surface Area 91.28
Polarizability 16.69
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1315363-86-0 $227.70-$1,472.00$227.70$342.70$572.70$917.70$1,472.00
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