Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
87429
Molecular Scaffold
datH@@RfVPlhj[jjjjJHdIT`@
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@@H](C1)[C@@]11[C@@H]2O[C@@H]3[C@H]1[C@H]23
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H8O2/c8-2-1-7(2)4-3-5(4)9-6(3)7/h2-6,8H,1H2/t2-,3+,4-,5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JJQWKMWCYDOMEJ-GVUNPQSCSA-N