이름: 2-formylbenzoic acid
SMILES:
O=Cc1ccccc1C(=O)OMolecular Processing
Molecular formula
C8H6O3
Molecular weight
150.13
Exact mass
150.0317
XLogP
1.2
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
38.79
Supplementary Information
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