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January 28, 2026
C4H8
Datos Químicos de C4H8
ID
43
Molecular Scaffold
eO@Hyj@
Molecular Formula
C4H8
Elemental Composition %
C: 33.3333333333333%
H: 66.6666666666667%
O: 0%
N: 0%
Weight
56.1075
Programa de Cálculo
G16
SMILES
CC1CC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VNXBKJFUJUWOCW-UHFFFAOYSA-N