Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H9NO2
Datos Químicos de C6H9NO2
ID
71639
Molecular Scaffold
daVH@JAJUljIfzjjjsDTi@@
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@]1(C2)[C@H]3N2[C@@H]1COC3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10NO2/c8-6-3-7-4(6)1-9-2-5(6)7/h4-5,7-8H,1-3H2/t4-,5+,6+
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BNLUXLRIWQWGLT-FMCRUOTFSA-N