Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H10
Datos Químicos de C9H10
ID
37753
Molecular Scaffold
diL@@DjfUFIjzajjjjhEBQUFPOxRl{@
Molecular Formula
C9H10
Elemental Composition %
C: 47.3684210526316%
H: 52.6315789473684%
O: 0%
N: 0%
Weight
118.178
Programa de Cálculo
G16
SMILES
C1[C@@]2(CC3)[C@@H]4[C@]3[CH][C@H]2[C@@H]14
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H11/c1-2-9-4-6-7(9)3-5(1)8(6)9/h3,5-8H,1-2,4H2/t5-,6+,7-,8-,9-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BSOUECPCXQTXCG-ANZWQOBJSA-N