Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C8H10O
Datos Químicos de C8H10O
ID
78951
Molecular Scaffold
dnT@@DjYRlKFIjjjj`RKHRZ@@
Molecular Formula
C8H10O
Elemental Composition %
C: 42.1052631578947%
H: 52.6315789473684%
O: 5.26315789473684%
N: 0%
Weight
122.166
Programa de Cálculo
G16
SMILES
C[C@]1([C@@H]2[C@H]3[C@@H]4[C@H]1[C@H]24)[C@@H]3O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C8H10O/c1-8-5-2-3(5)6(8)4(2)7(8)9/h2-7,9H,1H3/t2-,3-,4+,5+,6-,7-,8+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YXPDLXUYCPWUMP-BLNUZJERSA-N