Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H6O
Datos Químicos de C3H6O
ID
44
Molecular Scaffold
eOHBNZ`@
Molecular Formula
C3H6O
Elemental Composition %
C: 30%
H: 60%
O: 10%
N: 0%
Weight
58.0796
Programa de Cálculo
G16
SMILES
C[C@@H]1OC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GOOHAUXETOMSMM-GSVOUGTGSA-N