Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
38125
Molecular Scaffold
ditD@@yJY^JfGajjjkHUPXC~DsFp
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
C1[C@@]23O[C@@H]2[CH][CH][C@H]1OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c1-2-6-7(9-6)3-5(1)8-4-7/h1-2,5-6H,3-4H2/t5-,6-,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JOXYMZWKWRQFML-FSDSQADBSA-N