CAS: 10147-11-2
이름: prop-2-ynylbenzene
SMILES:
C#CCC1=CC=CC=C1Molecular Processing
Molecular formula
C9H8
Molecular weight
116.16
Exact mass
116.0626
XLogP
1.86
TPSA
0
H-bond donors
0
H-bond acceptors
0
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
0
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
38.98
Supplementary Information
InChIKey: NGKSKVYWPINGLI-UHFFFAOYSA-N
동의어
3-Phenyl-1-propyne10147-11-2prop-2-yn-1-ylbenzenePropargylbenzene(2-Propynyl)benzeneBenzylacetylene3-phenylpropyneBenzene, (2-propynyl)-benzene, 2-propynyl-EU32H24A0APROPYNE, 3-PHENYL-DTXSID00143941RefChem:566928DTXCID2066432629-124-9InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h1,3-5,7-8H,6Hprop-2-ynylbenzeneMFCD00134431(prop-2-yn-1-yl)benzene3-Phenyl-1-propyne (stabilised with BHT)1-Propyne, 3-phenyl-Propargylbenzolbenzyl acetylene3-phenyl-propyne3-phenyl-1-propynprop-2-ynyl-benzene2-Propynylbenzene #1-phenyl prop-2-yne3-phenyl-prop-1-yneSCHEMBL4243
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