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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
94877
Molecular Scaffold
daTD@@yJZWJqbzjjjRId@
Molecular Formula
C7H10O2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 10.5263157894737%
N: 0%
Weight
126.154
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@]2(C3)OC[C@@]23OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-5-2-8-6-3-7(5,6)9-4-6/h5H,2-4H2,1H3/t5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SYGUKOBGPIQAOZ-FSDSQADBSA-N