Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C7H6O2
Datos Químicos de C7H6O2
ID
43964
Molecular Scaffold
ditD@@KHhiBlXfxVjfjQDr@
Molecular Formula
C7H6O2
Elemental Composition %
C: 46.6666666666667%
H: 40%
O: 13.3333333333333%
N: 0%
Weight
122.123
Programa de Cálculo
G16
SMILES
O=C(C1)[C@]23O[C@]13CC=C2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C7H6O2/c8-5-4-6-2-1-3-7(5,6)9-6/h1,3H,2,4H2/t6-,7+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
JWLOIUSAVQAMGR-NKWVEPMBSA-N