Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
71117
Molecular Scaffold
daTD@@qJYoJifzjijqERY@@
Molecular Formula
C7H8O2
Elemental Composition %
C: 41.1764705882353%
H: 47.0588235294118%
O: 11.7647058823529%
N: 0%
Weight
124.139
Programa de Cálculo
G16
SMILES
C[C@]1(C=C[C@@H]23)O[C@@H]2[C@@H]3O1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c1-7-3-2-4-5(8-7)6(4)9-7/h2-6H,1H3/t4-,5+,6-,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JGNXOBGCQKDLMY-UMRXKNAASA-N