Name: 2-Carboxymethyl-3-phenylpropenoic acid
SMILES:
O=C(O)CC(=Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C11H10O4
Molecular weight
206.2
Exact mass
206.0579
XLogP
1.63
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
54.31
Supplementary Information
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