이름: (3-sec-butoxy-phenyl)-acetic acid
SMILES:
CCC(C)Oc1cccc(CC(=O)O)c1Molecular Processing
Molecular formula
C12H16O3
Molecular weight
208.26
Exact mass
208.1099
XLogP
2.49
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.16
Supplementary Information
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