AG001YC1

1688656-69-0 | 7-​Quinolinecarboxylic acid, 4-​ethoxy-​, ethyl ester

AG001YC1

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CAS Number	1688656-69-0
Catalog Number	AG001YC1(AGN-PC-0WANHS)
Chemical Name	7-​Quinolinecarboxylic acid, 4-​ethoxy-​, ethyl ester
IUPAC Name	ethyl 4-ethoxyquinoline-7-carboxylate
InChI	InChI=1S/C14H15NO3/c1-3-17-13-7-8-15-12-9-10(5-6-11(12)13)14(16)18-4-2/h5-9H,3-4H2,1-2H3
InChI Key	VEIBFPAMWJLWEV-UHFFFAOYSA-N
MDL Number	MFCD28401026
Molecular Formula	C14H15NO3
Molecular Weight	245.2738
SMILES	O(CC)c1c2c(cc(cc2)C(=O)OCC)ncc1
Synonyms	Ethyl 4-ethoxyquinoline-7-carboxylate, 1688656-69-0, AK165025, MFCD28401026, AKOS025146486, ZINC218899983, DS-8861, ST24047034, 7-Quinolinecarboxylic acid, 4-ethoxy-, ethyl ester,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.105g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.278g/mol
Monoisotopic Mass	245.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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