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January 28, 2026
C5H10
Datos Químicos de C5H10
ID
95
Molecular Scaffold
gBP@DiVj`@
Molecular Formula
C5H10
Elemental Composition %
C: 33.3333333333333%
H: 66.6666666666667%
O: 0%
N: 0%
Weight
70.1344
Programa de Cálculo
G16
SMILES
CC1CCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BDJAEZRIGNCQBZ-UHFFFAOYSA-N