Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
91346
Molecular Scaffold
gGx@@eSHzuURDb@
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](C2)O)N2C[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H12NO2/c1-6-4(8)2-7(6)3-5(6)9/h4-5,7-9H,2-3H2,1H3/t4-,5-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PIPAZEWICKXIGP-RFZPGFLSSA-N