Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
79795
Molecular Scaffold
datH@@RfWSBhf[jjjjZHbrDjcH@
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@H]1[C@H]2[C@@H]3O[C@H]4[C@@H]3[C@@H]1[C@H]24
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-5-1-2-3(5)7-4(1)6(2)9-7/h1-8H/t1-,2-,3+,4+,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KWFBNZZHUOOPGN-JANARJQFSA-N