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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
90944
Molecular Scaffold
daTD@@qJYoJifzjjjJDdjM@@
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[C@H]12)[C@H]3O[C@@H]1[C@@H]2O3
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-3-2-4-5-6(4)9-7(3)8-5/h3-7H,2H2,1H3/t3-,4-,5+,6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JOBYUKNMDBNVSC-NEVCITSRSA-N