Name: methyl 3-methylene-2,3,4,5-tetrahydro-1-benzoxepin-7-carboxylate
SMILES:
C=C1CCc2cc(C(=O)OC)ccc2OC1Molecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.35
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
60.74
Supplementary Information
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