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January 28, 2026
C7H10
Datos Químicos de C7H10
ID
3615
Molecular Scaffold
dnd@@DjYrbhfjjjHIBJU@@
Molecular Formula
C7H10
Elemental Composition %
C: 41.1764705882353%
H: 58.8235294117647%
O: 0%
N: 0%
Weight
94.1564
Programa de Cálculo
G16
SMILES
C1[C@H](CC2)[C@@H]3[C@H]2[C@@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10/c1-2-5-6-3-4(1)7(5)6/h4-7H,1-3H2/t4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YDOHPBBLOFQPQE-BNHYGAARSA-N