Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
39792
Molecular Scaffold
diLD@@iJ[fSDJfxZjjjlbHlP@
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
C(C1)C11[C@@H]2O[C@H]1[C@]21OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c1-2-6(1)4-7(3-8-7)5(6)9-4/h4-5H,1-3H2/t4-,5+,7-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JAJUVDBARIJSFB-CNYLLVADSA-N