1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile

1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile

CAS: 20802-15-7

Formula: C12H13NO2

SMILES: COC1=C(OC)C=C(C=C1)C1(CC1)C#N

IUPAC: 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile

InChI: InChI=1S/C12H13NO2/c1-14-10-4-3-9(7-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6H2,1-2H3

Composition: C (70.92%), H (6.45%), N (6.89%), O (15.74%)

Molar Mass: 203.241

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.094628663
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PZVYROVODMATJD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.54
Topological Polar Surface Area	42.25
Polarizability	21.84
Ring Count	2
Rotatable Bond Count	3

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