名称: 3-oxo-indan-1-carboxylic acid
SMILES:
O=C1CC(C(=O)O)c2ccccc21Molecular Processing
Molecular formula
C10H8O3
Molecular weight
176.17
Exact mass
176.0473
XLogP
1.44
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
45.77
Supplementary Information
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