COC1=C(C=C(C=C1)CC#N)OC
CAS: 93-17-4
Name: 2-(3,4-dimethoxyphenyl)acetonitrile
SMILES: COC1=C(C=C(C=C1)CC#N)OC

Molecular Processing

Molecular formula
C10H11NO2
Molecular weight
177.2
Exact mass
177.079
XLogP
1.77
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
48.86

Supplementary Information

InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N
Synonyme
93-17-43,4-DimethoxyphenylacetonitrileHomoveratronitrileVeratryl cyanide3,4-Dimethoxybenzyl cyanide3,4-DimethoxybenzeneacetonitrileBenzeneacetonitrile, 3,4-dimethoxy-62C8S706SPNSC-6324RefChem:486313202-225-13,4-Dimethylbenzyl cyanide(3,4-Dimethoxyphenyl)acetonitrile2-(3,4-dimethoxyphenyl)acetonitrileMFCD00001911NSC 63243,4-DIMETHOXYPHENYL ACETONITRILEAcetonitrile, (3,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)ethanenitrile2-(3,4-dimethoxyphenyl)-acetonitrileF0255-0021EINECS 202-225-1(3,?4-?Dimethoxyphenyl)?acetonitrile(Homoveratronitrile)Acetonitrile, 3,4-(dimethoxyphenyl)-BRN 1956100UNII-62C8S706SPAI3-238823,4-dimethoxy phenylacetonitrileAcetonitrile, 3,4-dimethoxyphenyl-EC 202-225-1
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