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January 28, 2026
C6H10
Datos Químicos de C6H10
ID
462
Molecular Scaffold
gKP@DiVj@@
Molecular Formula
C6H10
Elemental Composition %
C: 37.5%
H: 62.5%
O: 0%
N: 0%
Weight
82.1454
Programa de Cálculo
G16
SMILES
C[C@@H]1C=CCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CXOZQHPXKPDQGT-ZCFIWIBFSA-N