Name: (S)-2-(tert-butoxycarbonyl)-3-phenylpropanoic acid
SMILES:
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C14H18O4
Molecular weight
250.29
Exact mass
250.1205
XLogP
2.27
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
67.12
Supplementary Information
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