Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O
Datos Químicos de C7H8O
ID
17758
Molecular Scaffold
dfd@@DjVDplhjjjj@@
Molecular Formula
C7H8O
Elemental Composition %
C: 43.75%
H: 50%
O: 6.25%
N: 0%
Weight
108.14
Programa de Cálculo
G16
SMILES
C[C@]1([C@H]2[C@@H]3[C@H]4[C@H]13)[C@@]24O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O/c1-6-3-2-4(3)7(6,8)5(2)6/h2-5,8H,1H3/t2-,3+,4-,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YKTLJJRXEQBZSB-OUIVRQFQSA-N