الاسم: 4-acetoxy-3-phenyl-but-2-enoic acid methyl ester
SMILES:
COC(=O)C=C(COC(C)=O)c1ccccc1Molecular Processing
Molecular formula
C13H14O4
Molecular weight
234.25
Exact mass
234.0892
XLogP
1.81
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
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
0.231
Molar refractivity
63.07
Supplementary Information
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