Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H10O2
Datos Químicos de C6H10O2
ID
6960
Molecular Scaffold
gFq@@drfmU@@
Molecular Formula
C6H10O2
Elemental Composition %
C: 33.3333333333333%
H: 55.5555555555556%
O: 11.1111111111111%
N: 0%
Weight
114.143
Programa de Cálculo
G16
SMILES
C[C@@](CCC1)(C1=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H10O2/c1-6(8)4-2-3-5(6)7/h8H,2-4H2,1H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DIPSWNUPSRRWEH-ZCFIWIBFSA-N