Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
90327
Molecular Scaffold
dnD@@DjYrbZjjdAQ@_p`Xf@
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@]1[CH]C2)[C@@H]1[C@@H]2O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H11O2/c8-5-2-1-4-3-6(9)7(4)5/h1,4-9H,2-3H2/t4-,5+,6+,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
IOASJMVPWBXGTN-WNJXEPBRSA-N