Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
90073
Molecular Scaffold
dnd@@DjfRlhfjjjPIR@
Molecular Formula
C7H10O2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 10.5263157894737%
N: 0%
Weight
126.154
Programa de Cálculo
G16
SMILES
O[C@@H](C[C@]12C[C@H]3C2)[C@@]13O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c8-5-3-6-1-4(2-6)7(5,6)9/h4-5,8-9H,1-3H2/t4?,5-,6?,7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KOUWYPZPGZOZLY-DHJFATIGSA-N