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January 28, 2026
C7H11NO
Datos Químicos de C7H11NO
ID
76503
Molecular Scaffold
dnf@@@ReZDpjZjjiHRP@
Molecular Formula
C7H11NO
Elemental Composition %
C: 35%
H: 55%
O: 5%
N: 5%
Weight
125.17
Programa de Cálculo
G16
SMILES
C[C@@H]1[C@@]2([C@@H]3N[C@@H]3C2)[C@@H]1O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11NO/c1-3-6(9)7(3)2-4-5(7)8-4/h3-6,8-9H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UDPQWQDRWQLAIG-GKHCUFPYSA-N