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January 28, 2026
C7H10O
Datos Químicos de C7H10O
ID
8534
Molecular Scaffold
dfD@@DjYBRlJjjlaIB`@
Molecular Formula
C7H10O
Elemental Composition %
C: 38.8888888888889%
H: 55.5555555555556%
O: 5.55555555555556%
N: 0%
Weight
110.155
Programa de Cálculo
G16
SMILES
C[C@H]([C@@H]1[C@H]2C3)[C@@H]2[C@]13O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O/c1-3-5-4-2-7(5,8)6(3)4/h3-6,8H,2H2,1H3/t3-,4+,5+,6-,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DBPHOBLGBMIJBZ-OUXNELDQSA-N