Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
44570
Molecular Scaffold
ditD@@IIfurf{aZjjhdUQir@
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
O=C1[C@@H]2O[C@H](C3)[C@H]3[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-5-1-4-3-2-6(3)9-7(4)5/h3-4,6-7H,1-2H2/t3-,4-,6+,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DVBJTIORIGEZHJ-ZCBVHYEASA-N