Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H14O2
Datos Químicos de C7H14O2
ID
57339
Molecular Formula
C7H14O2
Elemental Composition %
C: 30.4347826086957%
H: 60.8695652173913%
O: 8.69565217391304%
N: 0%
Weight
130.186
Programa de Cálculo
G16
SMILES
CC(C)(C)[C@](C)(C=O)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H14O2/c1-6(2,3)7(4,9)5-8/h5,9H,1-4H3/t7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NDKPKDICNGMPRY-ZETCQYMHSA-N