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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
76827
Molecular Scaffold
dnD@@DjYrbZjjdAQ@_p`Xf@
Molecular Formula
C7H10O2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 10.5263157894737%
N: 0%
Weight
126.154
Programa de Cálculo
G16
SMILES
O[C@H]([C@H]1[C@@]2[CH]CC1)[C@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11O2/c8-6-4-2-1-3-5(4)7(6)9/h2,4-9H,1,3H2/t4-,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QRCJHGBUFYOSAD-AXMZGBSTSA-N