Nombre: 2-butyl-5-methoxy-2,3-dihydroinden-1-one
SMILES:
CCCCC1CC2=C(C1=O)C=CC(=C2)OCMolecular Processing
Molecular formula
C14H18O2
Molecular weight
218.3
Exact mass
218.1307
XLogP
3.24
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.04
Supplementary Information
InChIKey: DSKKIZKZZIATRO-UHFFFAOYSA-N
Sinónimos
2-butyl-5-methoxy-1-indanoneSCHEMBL2424817DSKKIZKZZIATRO-UHFFFAOYSA-N
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