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2，4-Dihydroxyquinazoline-7-carboxylic acid - ≥95%, high purity , CAS No.864293-00-5

COA

Grade & Purity:

≥95%

Cas Number: 864293-00-5
PubChem CID: 19604289

In stock

Item Number

D729586

Grouped product items
SKU	Size	Availability	Price	Qty
D729586-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,445.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Pyrimidones Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2,4-dioxo-1H-quinazoline-7-carboxylic acid
INCHI	InChI=1S/C9H6N2O4/c12-7-5-2-1-4(8(13)14)3-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
InChIKey	MSNNFPGHLBKVCS-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1C(=O)O)NC(=O)NC2=O
Isomeric SMILES	C1=CC2=C(C=C1C(=O)O)NC(=O)NC2=O
PubChem CID	19604289

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	206.150 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	206.033 Da
Monoisotopic Mass	206.033 Da
Topological Polar Surface Area	95.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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