Name: methyl 6-amino-1,3-benzodioxole-5-carboxylate
SMILES:
COC(=O)c1cc2c(cc1N)OCO2Molecular Processing
Molecular formula
C9H9NO4
Molecular weight
195.17
Exact mass
195.0532
XLogP
0.78
TPSA
70.78
H-bond donors
1
H-bond acceptors
5
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
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
48.32
Supplementary Information
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