Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C2H2O2C3H6OC
Datos Químicos de C2H2O2C3H6OC
ID
46334
Molecular Formula
C2H2O2C3H6OC
Elemental Composition %
C: 35.2941176470588%
H: 47.0588235294118%
O: 17.6470588235294%
N: 0%
Weight
128.127
Programa de Cálculo
G16
SMILES
[CH2]CC[O].[CH2]O[C]=O.[C]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7O.C2H3O2.CH4/c1-2-3-4;1-4-2-3;/h4H,1-3H2;2H,1H2;1H4
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YULLQJHFWCISNQ-UHFFFAOYSA-N