Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6O
Datos Químicos de C4H6O
ID
164
Molecular Scaffold
gJq@@eKEcUThe@@
Molecular Formula
C4H6O
Elemental Composition %
C: 36.3636363636364%
H: 54.5454545454545%
O: 9.09090909090909%
N: 0%
Weight
70.0906
Programa de Cálculo
G16
SMILES
C1[C@H]2O[C@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2/t3-,4+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BIMXFPIWUWKRHY-ZXZARUISSA-N