Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H8O3
Datos Químicos de C6H8O3
ID
87384
Molecular Scaffold
dnDL@@RdfVpjYjjhr@@
Molecular Formula
C6H8O3
Elemental Composition %
C: 35.2941176470588%
H: 47.0588235294118%
O: 17.6470588235294%
N: 0%
Weight
128.127
Programa de Cálculo
G16
SMILES
C[C@H]1O[C@]1([C@@H](C)O1)C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8O3/c1-3-6(4(2)9-6)5(7)8-3/h3-4H,1-2H3/t3-,4-,6-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KDWLGMXKHLOYAW-FKZODXBYSA-N