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Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate

Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate - CAS 53400-58-1

Catalog:	BB028200
Product Name:	Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate
CAS:	53400-58-1
Synonyms:	5,6,7,8-tetrahydroquinoline-8-carboxylic acid methyl ester; methyl 5,6,7,8-tetrahydroquinoline-8-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5,6,7,8-tetrahydroquinoline-8-carboxylate
Description:	Methyl 5,6,7,8-Tetrahydroquinoline-8-carboxylate (CAS# 53400-58-1 ) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	COC(=O)C1CCCC2=C1N=CC=C2
InChI:	InChI=1S/C11H13NO2/c1-14-11(13)9-6-2-4-8-5-3-7-12-10(8)9/h3,5,7,9H,2,4,6H2,1H3
InChI Key:	NSDLEELVPNRYRH-UHFFFAOYSA-N
LogP:	1.67450

Publication Number	Title	Priority Date
CA-2456614-A1	Synthesis of enantiomerically pure amino-substituted fused bicyclic rings	20010912
CN-100412062-C	Synthesis of enantiomerically pure amino-substituted fused bicyclic rings	20010912
CN-101353324-A	Synthesis of enantiomerically pure amino-substituted fused bicyclic rings	20010912
CN-1272322-C	Synthesis of enantiomerically pure amino-substituted fused bicyclic rings	20010912
CN-1608052-A	Synthesis of enantiomerically pure amino-substituted fused bicyclic rings	20010912

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6