Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6O2
Datos Químicos de C7H6O2
ID
42721
Molecular Scaffold
ditD@@yIf^rb[aZjj[DfRd@
Molecular Formula
C7H6O2
Elemental Composition %
C: 46.6666666666667%
H: 40%
O: 13.3333333333333%
N: 0%
Weight
122.123
Programa de Cálculo
G16
SMILES
O=C1[C@@H]2C=C[C@H]1[C@]21OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6O2/c8-6-4-1-2-5(6)7(4)3-9-7/h1-2,4-5H,3H2/t4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MBMQOWXOBZLQHB-RFZPGFLSSA-N