Name: 3-methyl-2-cyclopentenone
SMILES:
CC1=CC(=O)CC1Molecular Processing
Molecular formula
C6H8O
Molecular weight
96.13
Exact mass
96.0575
XLogP
1.3
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
28
Supplementary Information
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