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January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
77397
Molecular Scaffold
dfD@@DjYBRlJjjdbH`@
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@@]1([C@H]2C[C@H]11)O)[C@@]12O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-3-6(8)4-2-5(6)7(3,4)9/h3-5,8-9H,2H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
UBWCHMFXBPRZIJ-UHFFFAOYSA-N