Name: 3-methyl-2-pentanone
SMILES:
CCC(C)C(C)=OMolecular Processing
Molecular formula
C6H12O
Molecular weight
100.16
Exact mass
100.0888
XLogP
1.62
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
30.14
Supplementary Information
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