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January 28, 2026
C7H10
Datos Químicos de C7H10
ID
3473
Molecular Scaffold
dfD@@DjYBrbjjjlAEJP@
Molecular Formula
C7H10
Elemental Composition %
C: 41.1764705882353%
H: 58.8235294117647%
O: 0%
N: 0%
Weight
94.1564
Programa de Cálculo
G16
SMILES
C[C@]12[C@@H]3C[C@H]1[C@H]2C3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10/c1-7-4-2-5(7)6(7)3-4/h4-6H,2-3H2,1H3/t4-,5+,6-,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RPNNMFQQNBJTDH-UMRXKNAASA-N