CCOC1=CC=C(C=C1)CC#N
CAS: 6775-77-5
Name: 2-(4-ethoxyphenyl)acetonitrile
SMILES: CCOC1=CC=C(C=C1)CC#N

Molecular Processing

Molecular formula
C10H11NO
Molecular weight
161.2
Exact mass
161.0841
XLogP
2.15
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
46.93

Supplementary Information

InChIKey: PQXBQWKKJUWNDI-UHFFFAOYSA-N
Synonyms
6775-77-52-(4-ethoxyphenyl)acetonitrileRefChem:457512670-468-44-EthoxyphenylacetonitrileBenzeneacetonitrile,4-ethoxy-MFCD000164012-(4-ethoxyphenyl)ethanenitrile(4-ethoxyphenyl)acetonitrileBenzeneacetonitrile, 4-ethoxy-p-ethoxybenzylcyanide4-ethoxyphenyl acetonitrileSCHEMBL1235239SBB017666AKOS000187323FS-1038AC-26155DB-055061CS-0020204ST51041401EN300-31361F002561
View source →
Involved in 8 reactions→

Extended Search

Substructure Search→Similarity Search→