Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
72387
Molecular Scaffold
daTH@@RfuSDInjjZlaILP@
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[C@@]12[C@H]3O[C@@H]1[C@H]3C=CC2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-7-3-1-2-4-5(7)9-6(4)7/h1-2,4-6,8H,3H2/t4-,5+,6-,7+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JYUKBLAQIYUUMR-UMRXKNAASA-N