CAS: 140-29-4
이름: 2-phenylacetonitrile
SMILES:
C1=CC=C(C=C1)CC#NMolecular Processing
Molecular formula
C8H7N
Molecular weight
117.15
Exact mass
117.0578
XLogP
1.75
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
35.76
Supplementary Information
InChIKey: SUSQOBVLVYHIEX-UHFFFAOYSA-N
동의어
PhenylacetonitrileBenzeneacetonitrileBENZYL CYANIDE2-Phenylacetonitrile140-29-4alpha-TolunitrileBenzyl nitrilealpha-Cyanotoluene(Cyanomethyl)benzeneBenzylnitrilePhenyl acetyl nitrileAcetonitrile, phenyl-USAF KF-21Benzylkyanidomega-CyanotoluenePhenacetonitrileAcetic acid, phenyl-nitrileDTXSID202149223G40PRP93NSC-118418DTXCID401492CHEBI:25979RefChem:6126TOLUENE, ALPHA-CYANO205-410-5benzylcyanidePhenyl-acetonitrile2-phenylethanenitrile.omega.-CyanotoluenePhenylacetonitrile, liquid
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