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2,6-diethyl 1H-indole-2,6-dicarboxylate

2,6-diethyl 1H-indole-2,6-dicarboxylate

CAS: 107516-75-6

Formula: C14H15NO4

SMILES: CCOC(=O)C1=CC2=CC=C(C=C2N1)C(=O)OCC

IUPAC: 2,6-diethyl 1H-indole-2,6-dicarboxylate

InChI: InChI=1S/C14H15NO4/c1-3-18-13(16)10-6-5-9-7-12(14(17)19-4-2)15-11(9)8-10/h5-8,15H,3-4H2,1-2H3

Composition: C (64.36%), H (5.79%), N (5.36%), O (24.49%)

Molar Mass: 261.277

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.100107967
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ISQYBMUDGXFHAF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.57
Topological Polar Surface Area 68.39
Polarizability 28.07
Ring Count 2
Rotatable Bond Count 6

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