Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
43048
Molecular Scaffold
ditD@@EIf[IbyaZjjhdVHht@
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=C([C@H]1C2)[C@@H]3[C@H]2[C@H]1OC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-6-4-1-3-5(6)2-9-7(3)4/h3-5,7H,1-2H2/t3-,4+,5-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HTRXHTQLDUXCCA-RASXUPOOSA-N