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3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

CAS: 35202-54-1

Formula: C11H11NO2

SMILES: COC1=CC2=C(C=C1OC)C(C2)C#N

IUPAC: 3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile

InChI: InChI=1/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3

Composition: C (69.83%), H (5.86%), N (7.40%), O (16.91%)

Molar Mass: 189.214

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 189.078978598
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HJTHVTHXHHFXMJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.48
Topological Polar Surface Area 42.25
Polarizability 20
Ring Count 2
Rotatable Bond Count 2

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