Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
46200
Molecular Scaffold
ditD@@QIenpfyaZjjkLeQd@
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
O=C1OC[C@]11[C@@H]2C[C@H]1C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-6-7(3-9-6)4-1-5(7)2-4/h4-5H,1-3H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
CMWTWIBVXNXMTL-UHFFFAOYSA-N