Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
37892
Molecular Scaffold
diLD@@yJYmrlZnXZjjjjaHleQh@
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@]23OC[C@@H]4O[C@H]2[C@H]1[C@@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c1-3-5-4-2-8-7(1,5)6(3)9-4/h3-6H,1-2H2/t3-,4+,5+,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PUSVRIAFFAVYIU-PFCGLBSHSA-N