Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H12O
Datos Químicos de C8H12O
ID
59147
Molecular Scaffold
dfD@@DjVLPbjjjbBQDaH@
Molecular Formula
C8H12O
Elemental Composition %
C: 38.0952380952381%
H: 57.1428571428571%
O: 4.76190476190476%
N: 0%
Weight
124.182
Programa de Cálculo
G16
SMILES
C[C@H]([C@@H]1[C@H]2[C@@H]1[C@@H]1[C@H]2C1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H12O/c1-3(9)6-7-4-2-5(4)8(6)7/h3-9H,2H2,1H3/t3-,4+,5+,6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VAGRYYCBYFOMEH-JMELQFKFSA-N