ethyl 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

CAS: 7272-58-4

Molecular Formula	`C12H15NO3`
Molecular Weight	221.25 g/mol
LogP	1.8
Topological Polar Surface Area	59.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	221.1052
Heavy Atoms	16
Complexity	303.0

Chemical Identifiers

CAS Number	7272-58-4
SMILES	`CCOC(=O)C1=C(C2=C(N1)CCCC2=O)C`
InChIKey	`VQLLFMATRGJDCH-UHFFFAOYSA-N`

📖 Product Overview

ethyl 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate (CAS: 7272-58-4) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.25 g/mol. Its IUPAC systematic name is ethyl 3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate. LogP 1.8 Topological Polar Surface Area 59.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 221.1052 Heavy Atoms 16 Complexity 303.0 InChI Key: VQLLFMATRGJDCH-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C2=C(N1)CCCC2=O)C.

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