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methyl 1-(2-cyanophenyl)cyclopropane-1-carboxylate

methyl 1-(2-cyanophenyl)cyclopropane-1-carboxylate

CAS: 1092794-06-3

Formula: C12H11NO2

SMILES: COC(=O)C1(CC1)C1=C(C=CC=C1)C#N

IUPAC: methyl 1-(2-cyanophenyl)cyclopropane-1-carboxylate

InChI: InChI=1S/C12H11NO2/c1-15-11(14)12(6-7-12)10-5-3-2-4-9(10)8-13/h2-5H,6-7H2,1H3

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 201.225

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.078978598
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VHJXKDAKXQLJMF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.13
Topological Polar Surface Area 50.09
Polarizability 21.4
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1092794-06-3 $189.75-$1,489.25$189.75$414.00$862.50$1,489.25
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