Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O
Datos Químicos de C7H10O
ID
8601
Molecular Scaffold
dnd@@DjfRlhfjjjpIDi@@
Molecular Formula
C7H10O
Elemental Composition %
C: 38.8888888888889%
H: 55.5555555555556%
O: 5.55555555555556%
N: 0%
Weight
110.155
Programa de Cálculo
G16
SMILES
O[C@@H]1[C@H]([C@H](C2)C3)[C@]23C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O/c8-5-3-7-1-4(2-7)6(5)7/h4-6,8H,1-3H2/t4?,5-,6-,7?/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WYEGXUDFTRAPMK-GRBLJGJFSA-N