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January 28, 2026
C7H10O
Datos Químicos de C7H10O
ID
19916
Molecular Scaffold
dfD@@DjVLPbjjjbBQDaH@
Molecular Formula
C7H10O
Elemental Composition %
C: 38.8888888888889%
H: 55.5555555555556%
O: 5.55555555555556%
N: 0%
Weight
110.155
Programa de Cálculo
G16
SMILES
OC[C@H]1[C@@H]2[C@H]1[C@H]1[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O/c8-2-5-6-3-1-4(3)7(5)6/h3-8H,1-2H2/t3-,4-,5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MPXUDUBKGKPCDM-GKHCUFPYSA-N