Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6O
Datos Químicos de C7H6O
ID
19641
Molecular Scaffold
dfd@@DjVDplhjjjj@@
Molecular Formula
C7H6O
Elemental Composition %
C: 50%
H: 42.8571428571429%
O: 7.14285714285714%
N: 0%
Weight
106.124
Programa de Cálculo
G16
SMILES
O=C[C@]12[C@@H]3[C@H]1[C@@H]1[C@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6O/c8-1-7-4-2-3(4)6(7)5(2)7/h1-6H/t2-,3+,4-,5-,6+,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VQRCCRMEYMCANP-GWJPIIGYSA-N