이름: (E)-3-m-tolyloxy-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)/C=C(\C)Oc1cccc(C)c1Molecular Processing
Molecular formula
C13H16O3
Molecular weight
220.27
Exact mass
220.1099
XLogP
2.84
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
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
0.308
Molar refractivity
62.2
Supplementary Information
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