Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O
Datos Químicos de C7H10O
ID
20132
Molecular Scaffold
daTH@@Re^aLInjjjlaILP@
Molecular Formula
C7H10O
Elemental Composition %
C: 38.8888888888889%
H: 55.5555555555556%
O: 5.55555555555556%
N: 0%
Weight
110.155
Programa de Cálculo
G16
SMILES
C(C1)C1[C@@H]1[C@@H]2O[C@@H]2C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O/c1-2-4(1)5-3-6-7(5)8-6/h4-7H,1-3H2/t5-,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MIROZPWEFCWAKW-LYFYHCNISA-N