Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6O2
Datos Químicos de C7H6O2
ID
43044
Molecular Scaffold
ditD@@YIfYij{aZjfhdfRet@
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]3[C@@H]1O[C@@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6O2/c8-5-3-1-2-4-6(3)9-7(4)5/h1-4,6-7H/t3-,4-,6+,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SSXOPLJFVGXHJM-SOWDYBQPSA-N