Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H10O2
Datos Químicos de C7H10O2
ID
91880
Molecular Scaffold
dadD@@IIfj[fjjdQT`@
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@@H](C[C@H]1O[C@@H]11)CC1=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H10O2/c1-4-2-5(8)7-6(3-4)9-7/h4,6-7H,2-3H2,1H3/t4-,6-,7-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RXWHTUKPMZMRAH-QTSITTDLSA-N