Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H11NO2
Datos Químicos de C6H11NO2
ID
58521
Molecular Scaffold
gJx@@eKEcUThe@@
Molecular Formula
C6H11NO2
Elemental Composition %
C: 30%
H: 55%
O: 10%
N: 5%
Weight
129.158
Programa de Cálculo
G16
SMILES
C[C@H]([C@@]1([C@@H]2N[C@@H]2C1)O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H11NO2/c1-3(8)6(9)2-4-5(6)7-4/h3-5,7-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PQTDLSXXQSVCIO-KAZBKCHUSA-N