Nom: 2-(1-Pyrryl)propanedioic acid, 3-ethyl ester
SMILES:
CCOC(=O)C(C(=O)[O-])n1cccc1Molecular Processing
Molecular formula
C9H10NO4-
Molecular weight
196.18
Exact mass
196.0615
XLogP
-0.66
TPSA
71.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.11
Supplementary Information
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