CAS: 4553-07-5
Название: ethyl 2-cyano-2-phenylacetate
SMILES:
CCOC(=O)C(C#N)C1=CC=CC=C1Molecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.86
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
51.43
Supplementary Information
InChIKey: SXIRJEDGTAKGKU-UHFFFAOYSA-N
Синонимы
Ethyl phenylcyanoacetateEthyl 2-cyano-2-phenylacetatePhenylcyanoacetic acid ethyl esterethyl cyano(phenyl)acetateEthyl alpha-cyanophenylacetateEthyl alpha-cyano-alpha-phenylacetatealpha-cyanobenzeneacetic acid, ethyl esterCHEBI:51926NSC 362DTXSID101032223EINECS 224-921-4AI3-05831RefChem:596374DTXCID401517232224-921-44553-07-5Ethyl cyanophenylacetateMFCD00001866Acetic acid, cyanophenyl-, ethyl esterBenzeneacetic acid, alpha-cyano-, ethyl esterNSC-362Benzeneacetic acid, .alpha.-cyano-, ethyl esterethylphenylcyanoacetateethyl-2-phenylcyanoacetateWJ2Z34X5XMSCHEMBL502194ethyl-2-cyano-2-phenylacetateEthyl phenylcyanoacetate, 95%NSC362Ethyl .alpha.-cyanophenylacetate
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