Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
43138
Molecular Scaffold
divD@A@dfZ_JKfEjjjlQXjP@
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
O=C1[C@]23OC[C@H]1[C@@H]2NC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H7NO2/c8-5-3-1-9-6(5)2-7-4(3)6/h3-4,7H,1-2H2/t3-,4-,6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XTRPSTDTYRGPLH-ZMIZWQJLSA-N