Name: 2-Allyl-3-hydroxy-3-methyl-4-cyclopentenone
SMILES:
C=CCC1C(=O)C=CC1(C)OMolecular Processing
Molecular formula
C9H12O2
Molecular weight
152.19
Exact mass
152.0837
XLogP
1.07
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
43.07
Supplementary Information
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