Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C9H14
Datos Químicos de C9H14
ID
65111
Molecular Scaffold
dad@@DjVRzfZjj@@
Molecular Formula
C9H14
Elemental Composition %
C: 39.1304347826087%
H: 60.8695652173913%
O: 0%
N: 0%
Weight
122.21
Programa de Cálculo
G16
SMILES
CC1(CC1)C1=CCCC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C9H14/c1-9(6-7-9)8-4-2-3-5-8/h4H,2-3,5-7H2,1H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XQJZUQRCMAKNBT-UHFFFAOYSA-N