Name: 2-hydroxymethylene-3,3,6-trimethyl-1-indanone
SMILES:
Cc1ccc2c(c1)C(=O)C(=CO)C2(C)CMolecular Processing
Molecular formula
C13H14O2
Molecular weight
202.25
Exact mass
202.0994
XLogP
2.91
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
59.25
Supplementary Information
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