Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H5NO
Datos Químicos de C4H5NO
ID
685
Molecular Scaffold
gGy@BDf[DujjRa`@
Molecular Formula
C4H5NO
Elemental Composition %
C: 36.3636363636364%
H: 45.4545454545455%
O: 9.09090909090909%
N: 9.09090909090909%
Weight
83.0897
Programa de Cálculo
G16
SMILES
O=C1[C@H](C2)N2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6NO/c6-4-2-5-1-3(4)5/h3,5H,1-2H2/t3-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DLNKYJAMFNLCHN-VKHMYHEASA-N