Name: 2-ethyl-2-methyl-1-indanone
SMILES:
CCC1(C)Cc2ccccc2C1=OMolecular Processing
Molecular formula
C12H14O
Molecular weight
174.24
Exact mass
174.1045
XLogP
2.84
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
52.87
Supplementary Information
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