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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
79235
Molecular Scaffold
dfD@@DjYBrbjjjdJT`@
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@]([C@H]1C2)([C@@H]1[C@@H]1O)[C@@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-6-3-2-7(6,9)5(8)4(3)6/h3-5,8-9H,2H2,1H3/t3-,4-,5+,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
WWOQQRWAEGOPEQ-ZYNSJIGGSA-N