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January 28, 2026
C7H13NO
Datos Químicos de C7H13NO
ID
22847
Molecular Scaffold
daF@@@RYU[fjj@@
Molecular Formula
C7H13NO
Elemental Composition %
C: 31.8181818181818%
H: 59.0909090909091%
O: 4.54545454545455%
N: 4.54545454545455%
Weight
127.186
Programa de Cálculo
G16
SMILES
ON=C1CCCCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H13NO/c9-8-7-5-3-1-2-4-6-7/h9H,1-6H2
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
OENGSNXUALAIFP-UHFFFAOYSA-N