AG002W6F

28705-46-6 | 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester

AG002W6F

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CAS Number	28705-46-6
Catalog Number	AG002W6F(AGN-PC-0JLMNG)
Chemical Name	2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
EC Number	419-180-0
IUPAC Name	ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI	InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3
InChI Key	MSOLGAJLRIINNF-UHFFFAOYSA-N
MDL Number	MFCD00227484
Molecular Formula	C16H19NO4
Molecular Weight	289.3264
SMILES	O=C1OC2=C(C=CC(N(CC)CC)=C2)C=C1C(OCC)=O
Synonyms	28705-46-6, Ethyl 7-(Diethylamino)coumarin-3-carboxylate, ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate, CHEMBL256699, 2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester, ethyl 7-diethylamino-coumarin-3-carboxylate, ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate, 7-(Diethylamino)coumarin-3-carboxylic Acid Ethyl Ester, ACMC-1CEJI, AC1L3PWT, Oprea1_201894, AC1Q645D, SCHEMBL1772718, DTXSID2067406, CTK4G1938, MSOLGAJLRIINNF-UHFFFAOYSA-N, KS-000014KH, NKX 1253, ZINC2559777, ANW-26456, BDBM50353733, MFCD00227484, SBB059463, STK367274, AKOS003616173, MCULE-4052600018, Ethyl 7-diethylaminocoumarin-3-carboxylate, Ethyl7-(Diethylamino)coumarin-3-carboxylate, TR-012609, E0642, FT-0626152, S0679, ST50921981, 7-diethylaminocoumarin-3-carboxylic acid ethyl ester, 7-Diethylaminocoumarin-3-carboxylic acid ethylester, J-017202, ethyl 7-diethylamino-2-oxo-2h-chromene-3-carboxylate, I14-94122, 7-Diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester, 2H-1-Benzopyran-3-carboxylicacid, 7-(diethylamino)-2-oxo-, ethyl ester, AR-1I9554, C16-H19-N-O4, CID120014, ZINC02559777, 7- COUMARIN-3-CARBOXYLICACIDETHYLESTER, 7-(Diethylamino)coumarin-3-carboxylic acid ethyl ester, 99% - 1G 1g, 295-48-7,

Complexity	428
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.131g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.331g/mol
Monoisotopic Mass	289.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

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