Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H7NO2
Datos Químicos de C6H7NO2
ID
79617
Molecular Scaffold
daVH@BAIfXjIfyjjjIEdJM@@
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[C@H]([C@@H]12)[C@@H]2N(C2)[C@H]2C1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H8NO2/c8-5-2-1-7(2)4-3(5)6(4)9/h2-4,6-7,9H,1H2/t2-,3-,4-,6+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BUJKZURSQCDLRT-HCRRSRSNSA-N