AG002XDC

29113-33-5 | 2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester

AG002XDC

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CAS Number	29113-33-5
Catalog Number	AG002XDC(AGN-PC-0JPD8Z)
Chemical Name	2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
IUPAC Name	ethyl 4-oxo-3H-quinazoline-2-carboxylate
InChI	InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key	BMCAWNQKVVTNFP-UHFFFAOYSA-N
MDL Number	MFCD00051583
Molecular Formula	C11H10N2O3
Molecular Weight	218.2087
NSC Number	159700
SMILES	O=C(C(N1)=NC2=C(C=CC=C2)C1=O)OCC
Synonyms	29113-33-5, Ethyl 4-quinazolone-2-carboxylate, ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylate, ethyl 4-hydroxyquinazoline-2-carboxylate, Ethyl 4-oxo-3,4-dihydro-2-quinazolinecarboxylate, ethyl 4-oxo-1H-quinazoline-2-carboxylate, 4-Quinazolone-2-carboxylic acid ethyl ester, BMCAWNQKVVTNFP-UHFFFAOYSA-N, MFCD00051583, 2-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-, ethyl ester, NSC159700, ACMC-20aic8, Enamine_001988, AC1L6JVI, Oprea1_074086, MLS000774835, SCHEMBL255848, CHEMBL1455243, 2-ethoxycarbonylquinazolin-4-one, CTK4G2741, CTK6F7495, KS-00001TTG, DTXSID10303655, HMS1399K08, HMS2762O09, ethyloxodihydroquinazolinecarboxylate, AC1Q6448, ALBB-003971, ZERO/005652, ANW-74694, BBL005367, SBB013562, STK500234, STK784026, ZINC12411205, AKOS000321277, AKOS005067755, AKOS025402267, AB03590, AC-7202, AN-9216, HP22912, MCULE-6457158959, NSC-159700, RP12610, VZ32154, AJ-62216, ethyl 4-oxo-3H-quinazoline-2-carboxylate, Ethyl 4-quinazolone-2-carboxylate, 97%, SC-27299, SMR000365483, ST093961, SY005076, AB0122846, AB1000337, BB 0240651, E1123, FT-0626103, EN300-16910, MFCD00051583 (95%), 1P-813, W-6516, ETHYL 4-HYDROXY-2-QUINAZOLINECARBOXYLATE, 3,4-Dihydro-2-(ethoxycarbonyl)-4-oxoquinazoline, A819770, AE-641/14965163, Ethyl 1,4-dihydro-4-oxoquinazoline-2-carboxylate, Ethyl 3,4-dihydro-4-oxoquinazoline-2-carboxylate, ethyl 4-oxidanylidene-1H-quinazoline-2-carboxylate, ethyl 4-oxo-1,4-dihydroquinazoline-2-carboxylate, SR-01000459303, 4-oxo-1H-quinazoline-2-carboxylic acid ethyl ester, 4-oxo-3H-quinazoline-2-carboxylic acid ethyl ester, J-017397, J-521057, SR-01000459303-1, 2-Quinazolinecarboxylic acid, 4-hydroxy-, ethyl ester, I14-54342, F3099-5705, 3,4-Dihydro-4-oxoquinazoline-2-carboxylic acid ethyl ester, 4-HYDROXY-QUINAZOLINE-2-CARBOXYLIC ACID ETHYL ESTER, 2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester, 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, ethyl ester, 4-Oxo-3,4-dihydro-quinazoline-2-carboxylic acid ethyl ester, AR-1I9255, CID293295, 1-Methyl-1H-1,2,3-benzotriazol-4-amine, 29382-68-1,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.212g/mol
Monoisotopic Mass	218.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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