Name: 3-isopropyl-2-cyclopenten-1-one
SMILES:
CC(C)C1=CC(=O)CC1Molecular Processing
Molecular formula
C8H12O
Molecular weight
124.18
Exact mass
124.0888
XLogP
1.93
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
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
0.625
Molar refractivity
37.16
Supplementary Information
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