Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO2
Datos Químicos de C6H9NO2
ID
91052
Molecular Scaffold
dnf@@@rRJELPjZjjk@TQH@
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](C[C@H]1N2[C@H]3C2)[C@@]13O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10NO2/c8-5-1-3-6(5,9)4-2-7(3)4/h3-5,7-9H,1-2H2/t3-,4+,5-,6+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VIEBBHDWYMMQIR-BGPJRJDNSA-N