Name: 3,4-ethylenedioxybenzoic acid methyl ester
SMILES:
COC(=O)c1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C10H10O4
Molecular weight
194.19
Exact mass
194.0579
XLogP
1.24
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
48.77
Supplementary Information
Details werden geladen…
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