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January 28, 2026
C7H10O
Datos Químicos de C7H10O
ID
8348
Molecular Scaffold
gJp@DjTZj`@
Molecular Formula
C7H10O
Elemental Composition %
C: 38.8888888888889%
H: 55.5555555555556%
O: 5.55555555555556%
N: 0%
Weight
110.155
Programa de Cálculo
G16
SMILES
O=CCC1(C2)CC2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O/c8-2-1-7-3-6(4-7)5-7/h2,6H,1,3-5H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JSACPFWAGNVKKU-UHFFFAOYSA-N