CAS: 25117-74-2
名称: 4-ethoxybenzonitrile
SMILES:
CCOC1=CC=C(C=C1)C#NMolecular Processing
Molecular formula
C9H9NO
Molecular weight
147.18
Exact mass
147.0684
XLogP
1.96
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
0.222
Molar refractivity
42.33
Supplementary Information
InChIKey: PJRLUGQMEZZDIY-UHFFFAOYSA-N
同義語
4-Ethoxybenzonitrile25117-74-2Benzonitrile, 4-ethoxy-p-Ethoxybenzonitrile4-Ethoxybenzoic acid nitrileBenzonitrile, p-ethoxy-DTXSID00179806RefChem:292487DTXCID20102297623-638-7InChI=1/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1HPJRLUGQMEZZDIY-UHFFFAOYSA-NMFCD000018194-ethoxybenzenecarbonitrilep-ethoxycyanobenzene4-Ethoxy-benzonitrileSCHEMBL509602SCHEMBL535439SCHEMBL535440SCHEMBL1273724SCHEMBL7772351SBB055390AKOS000222427EBC-152236FE67960AC-15257SY048923TS-01923DB-046631CS-0182197
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