Name: formylphenylacetate
SMILES:
O=CC(C(=O)[O-])c1ccccc1Molecular Processing
Molecular formula
C9H7O3-
Molecular weight
163.15
Exact mass
163.0401
XLogP
-0.28
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
40.25
Supplementary Information
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