AG00D4P1

337909-10-1 | Ethyl 1-formyl-4-oxo-4H-quinolizine-3-carboxylate

AG00D4P1

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CAS Number	337909-10-1
Catalog Number	AG00D4P1(AGN-PC-02WOZP)
Chemical Name	Ethyl 1-formyl-4-oxo-4H-quinolizine-3-carboxylate
IUPAC Name	ethyl 1-formyl-4-oxoquinolizine-3-carboxylate
InChI	InChI=1S/C13H11NO4/c1-2-18-13(17)10-7-9(8-15)11-5-3-4-6-14(11)12(10)16/h3-8H,2H2,1H3
InChI Key	FWIIXJDAGLXBHT-UHFFFAOYSA-N
MDL Number	MFCD11111264
Molecular Formula	C13H11NO4
Molecular Weight	245.2307
SMILES	CCOC(=O)C1=CC(C=O)=C2C=CC=CN2C1=O
Synonyms	Ethyl 1-formyl-4-oxo-4H-quinolizine-3-carboxylate, 337909-10-1, AK-30837, SCHEMBL1150566, CTK4H1240, DTXSID20609195, FWIIXJDAGLXBHT-UHFFFAOYSA-N, 3984AB, ANW-57876, MFCD11111264, ZINC72338677, RP28690, DA-06709, DS-11459, AJ-121061, AX8208880, TC-146621, FT-0749541, Ethyl l-Formyl-4-Oxo-4H-Quinolizine-3-Carboxylate, J-520535, 1-Formyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester, 4H-Quinolizine-3-carboxylic acid, 1-formyl-4-oxo-, ethyl ester, C13H11NO4, Ethyl1-formyl-4-oxo-4H-quinolizine-3-carboxylate,

Complexity	537
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.069g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.234g/mol
Monoisotopic Mass	245.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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