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4-ethynylpyrimidine

4-ethynylpyrimidine

CAS: 1196146-58-3

Formula: C6H4N2

SMILES: C#CC1=NC=NC=C1

IUPAC: 4-ethynylpyrimidine

InChI: InChI=1S/C6H4N2/c1-2-6-3-4-7-5-8-6/h1,3-5H

Composition: C (69.22%), H (3.87%), N (26.91%)

Molar Mass: 104.112

Atom Count: 12

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 104.037448137
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AKGBOZVXBXBRPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 27.52
Topological Polar Surface Area 25.78
Polarizability 11.11
Ring Count 1
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
96% <14 Days 1196146-58-3 $680.40$680.40
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