2-ethyl 6-methyl 1H-indole-2,6-dicarboxylate

2-ethyl 6-methyl 1H-indole-2,6-dicarboxylate

CAS: 916792-63-7

Formula: C13H13NO4

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

IUPAC: 2-ethyl 6-methyl 1H-indole-2,6-dicarboxylate

InChI: InChI=1S/C13H13NO4/c1-3-18-13(16)11-6-8-4-5-9(12(15)17-2)7-10(8)14-11/h4-7,14H,3H2,1-2H3

Composition: C (63.15%), H (5.30%), N (5.67%), O (25.88%)

Molar Mass: 247.25

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	247.084457903
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ORMUDDGEORTWGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.82
Topological Polar Surface Area	68.39
Polarizability	26.23
Ring Count	2
Rotatable Bond Count	5

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