Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
26490
Molecular Scaffold
dadH@@Rf^rfzfZh@@
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
OC1(CC1)c1ccco1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-7(3-4-7)6-2-1-5-9-6/h1-2,5,8H,3-4H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZEIAJTIFCLIDQN-UHFFFAOYSA-N