Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
110436
Molecular Scaffold
dnfH@DAIfHjifjjlrDjP@
Molecular Formula
C6H7NO2
Elemental Composition %
C: 37.5%
H: 43.75%
O: 12.5%
N: 6.25%
Weight
125.127
Programa de Cálculo
G16
SMILES
OC[C@@H]([C@@H]1N2[C@H]11)[C@H]1C2=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7NO2/c8-1-2-3-5-4(2)7(5)6(3)9/h2-5,8H,1H2/t2-,3-,4-,5+,7?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OXPCOUHWLSJDNZ-NYDRLXHLSA-N