Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
64002
Molecular Scaffold
gKP@DiVj@@
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(CC(C=O)=CC1)O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-7(9)3-2-6(4-7)5-8/h2,5,9H,3-4H2,1H3/t7-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MGUCQQFBHKZQCS-SSDOTTSWSA-N