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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
41782
Molecular Scaffold
diTD@@YJY[InFjjiREd@
Molecular Formula
C7H10O2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 10.5263157894737%
N: 0%
Weight
126.154
Programa de Cálculo
G16
SMILES
C1O[C@H]2C=CCCO[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-2-4-8-7-5-9-6(7)3-1/h1,3,6-7H,2,4-5H2/t6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZLXFYRGXFHNHLI-BQBZGAKWSA-N