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January 28, 2026
C9H10
Datos Químicos de C9H10
ID
39702
Molecular Scaffold
dil@@LddTQRlInX^FjjjjZDdiMNPp@
Molecular Formula
C9H10
Elemental Composition %
C: 47.3684210526316%
H: 52.6315789473684%
O: 0%
N: 0%
Weight
118.178
Programa de Cálculo
G16
SMILES
C(C1)C11[C@@H]2[C@@H]3[C@H]1[C@@H]1[C@H]2[C@H]13
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H10/c1-2-9(1)7-4-3-5(4)8(9)6(3)7/h3-8H,1-2H2/t3-,4+,5-,6-,7-,8-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QNLDRWAMMZNFRZ-ZDJZFTHGSA-N