Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
70828
Molecular Scaffold
dfDH@@RftqBJjjj@@
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@]1([C@H]2C3)O[C@]2(C)[C@]13O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-5-4-3-7(5,8)6(4,2)9-5/h4,8H,3H2,1-2H3/t4-,5-,6+,7-
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
NYTTXDDYAIYCNU-NLBFYYNUSA-N