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5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile

5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile

CAS: 24400-67-7

Formula: C11H8N2O

SMILES: CC1=C(C#N)C(=NO1)C1=CC=CC=C1

IUPAC: 5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile

InChI: InChI=1S/C11H8N2O/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3

Composition: C (71.73%), H (4.38%), N (15.21%), O (8.69%)

Molar Mass: 184.198

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 184.063662886
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DVIXSNXCESPDIB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.14
Topological Polar Surface Area 49.82
Polarizability 20.87
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 24400-67-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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