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October 10, 2024
C3H6
C3H6
ID
16
Molecular Scaffold
eO@Hyj@
Molecular Formula
C3H6
Elemental Composition %
C: 33.3333333333333%
H: 66.6666666666667%
O: 0%
N: 0%
Weight
42.0806
Programa de Cálculo
G16
SMILES
C1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6/c1-2-3-1/h1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
LVZWSLJZHVFIQJ-UHFFFAOYSA-N