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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
82809
Molecular Scaffold
daTH@@RfYKjZnjjjbbIJWH@
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]1[C@H]2O[C@H](C3)C[C@H]3[C@H]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c8-6-5-3-1-4(2-3)9-7(5)6/h3-8H,1-2H2/t3?,4?,5-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KCHSAZGVYHUEDZ-HKLOMFLFSA-N