Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
79342
Molecular Scaffold
dndD@@qJYlhfijjjlbTf`@
Molecular Formula
C7H10O2
Elemental Composition %
C: 36.8421052631579%
H: 52.6315789473684%
O: 10.5263157894737%
N: 0%
Weight
126.154
Programa de Cálculo
G16
SMILES
C[C@@H]([C@H]12)[C@H]3O[C@]1(C)[C@@H]2O3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-3-4-5-7(4,2)9-6(3)8-5/h3-6H,1-2H3/t3-,4+,5-,6-,7+/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
QSPRXIKPIKTUOB-BIVRFLNRSA-N