Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H9NO
Datos Químicos de C7H9NO
ID
90826
Molecular Scaffold
dav@@@RioSDHf[jjjjXEDRXbcH@
Molecular Formula
C7H9NO
Elemental Composition %
C: 38.8888888888889%
H: 50%
O: 5.55555555555556%
N: 5.55555555555556%
Weight
123.154
Programa de Cálculo
G16
SMILES
O[C@@H](C1)[C@H]2N3[C@@H]4[C@H]2[C@H]1[C@H]34
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10NO/c9-3-1-2-4-6(3)8-5(2)7(4)8/h2-9H,1H2/t2-,3-,4-,5-,6+,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ANCPHQFKCGKXJL-KLJZZCKASA-N