이름: methyl 1,3-benzodioxole-5-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H8O4
Molecular weight
180.16
Exact mass
180.0423
XLogP
1.2
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
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
0.222
Molar refractivity
43.9
Supplementary Information
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