Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H8O2
Datos Químicos de C7H8O2
ID
91085
Molecular Scaffold
daTH@@Re[aBinjjjbbHlePG|HVU`
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@@]2[C@@H]1[C@H]1O[C@H]1[CH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H9O2/c8-5-1-4-3(5)2-6-7(4)9-6/h2-8H,1H2/t3-,4+,5+,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MYSQALNRIKSHTD-CJZRUXIPSA-N