Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
80903
Molecular Scaffold
gJx@@eLlcUT@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
C[C@]1([C@H]2O)N[C@@H]2[C@@]1(C)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-5-4(8)3(7-5)6(5,2)9/h3-4,7-9H,1-2H3/t3-,4+,5+,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NBGBEGTXPHKOPZ-SLPGGIOYSA-N