Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO2
Datos Químicos de C6H9NO2
ID
79713
Molecular Scaffold
dnf@@@RieLIjZjjh`dQDr@
Molecular Formula
C6H9NO2
Elemental Composition %
C: 33.3333333333333%
H: 50%
O: 11.1111111111111%
N: 5.55555555555556%
Weight
127.142
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H]2N(C3)[C@H]3[C@@H]1[C@@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10NO2/c8-5-3-2-1-7(2)4(5)6(3)9/h2-9H,1H2/t2-,3?,4?,5-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RNKJPCINTZAYAV-DKRXKTQISA-N