C=CCc1cc(Cl)cc(C(=O)OC)c1O
Name: methyl 5-chloro-2-hydroxy-3-(2-propenyl)benzoate
SMILES: C=CCc1cc(Cl)cc(C(=O)OC)c1O

Molecular Processing

Molecular formula
C11H11ClO3
Molecular weight
226.66
Exact mass
226.0397
XLogP
2.56
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.182
Molar refractivity
58.36

Supplementary Information

Details werden geladen…

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