Name: 5-(1,3-Dioxepan-2-yl)-2,3-pyridinedicarboxylic acid, dimethyl ester
SMILES:
COC(=O)c1cc(C2OCCCCO2)cnc1C(=O)OCMolecular Processing
Molecular formula
C14H17NO6
Molecular weight
295.29
Exact mass
295.1056
XLogP
1.48
TPSA
83.95
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.8
Supplementary Information
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Involved in 12 reactions→