الاسم: 5-carboxyphthalide
SMILES:
O=C(O)c1ccc2c(c1)COC2=OMolecular Processing
Molecular formula
C9H6O4
Molecular weight
178.14
Exact mass
178.0266
XLogP
1.06
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
42.52
Supplementary Information
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