AG002XDB

29113-34-6 | 2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-

AG002XDB

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CAS Number	29113-34-6
Catalog Number	AG002XDB(AGN-PC-0JPD91)
Chemical Name	2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-
IUPAC Name	4-oxo-3H-quinazoline-2-carboxylic acid
InChI	InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-7(11-8)9(13)14/h1-4H,(H,13,14)(H,10,11,12)
InChI Key	KVXWXOHXKMKMTR-UHFFFAOYSA-N
MDL Number	MFCD13193857
Molecular Formula	C9H6N2O3
Molecular Weight	190.1555
NSC Number	159703
SMILES	O=C(C(NC1=C2C=CC=C1)=NC2=O)O
Synonyms	29113-34-6, 4-oxo-3,4-dihydroquinazoline-2-carboxylic acid, 4-Quinazolone-2-carboxylic Acid, 4-Oxo-1,4-dihydroquinazoline-2-carboxylic acid, 4-oxo-1H-quinazoline-2-carboxylic acid, 4-oxo-3H-quinazoline-2-carboxylic acid, 2-Quinazolinecarboxylic acid, 1,4-dihydro-4-oxo-, NSC159703, AC1L6JVO, AC1Q5T1H, 4-OXO-3,4-DIHYDROQUINAZOLINE-2-CARBOXYLICACID, SCHEMBL4936991, CHEMBL3229084, SCHEMBL14247484, SCHEMBL20352579, CTK1A2320, DTXSID70303656, ALBB-000270, ZINC6694775, ZX-AN000266, ZX-CM004211, MFCD20502558, STK500235, 4-hydroxyquinazoline-2-carboxylic acid, AKOS002657840, AKOS013153992, AKOS022183746, AC-7203, AN-1873, GS-5426, NSC-159703, ACM29113346, KS-0000261M, AJ-69840, SY005079, AB1000340, AX8171733, DB-013784, BB 0240590, FT-0711511, Y-8247, 4-Oxo-1,4-dihydro-2-quinazolinecarboxylic acid, 4-Oxo-3,4-dihydro-2-quinazolinecarboxylic acid, MFCD02059339 (97+%), 2-Quinazolinecarboxylic acid, 3,4-dihydro-4-oxo-, 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo-, 4-Oxo-3,4-dihydro-quinazoline-2-carboxylic acid, SR-01000459340, SR-01000459340-1, 4-Oxo-3,4-dihydroquinazoline-2-carboxylic acid x0.65h2o, null, Ethyl 4-Quinazolone-2-carboxylic Acid, AR-1G4229, CID293297, 29366-74-3,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.158g/mol
Monoisotopic Mass	190.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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