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Name	2,4(1H,3H)-Quinazolinedione,sodium salt (1:1)	EINECS	N/A
CAS No.	66868-15-3	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₈H₆N₂NaO₂	Boiling Point	N/A
Molecular Weight	185.13521	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2,4(1H,3H)-Quinazolinedione,monosodium salt (9CI);Sodium, [(3,4-dihydro-4-oxo-2-quinazolinyl)oxy]- (7CI);

2,4(1H,3H)-Quinazolinedione,sodium salt (1:1) Specification

The 2,4(1H,3H)-Quinazolinedione,sodium salt (1:1), with the CAS registry number 66868-15-3, is also known as NSC26437. This chemical's molecular formula is C₈H₆N₂NaO₂ and molecular weight is 185.13521. Its IUPAC name is called sodium 1H-quinazoline-2,4-dione.

Physical properties of 2,4(1H,3H)-Quinazolinedione,sodium salt (1:1): (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Tautomer Count: 12; (5)Exact Mass: 185.032697; (6)MonoIsotopic Mass: 185.032697; (7)Topological Polar Surface Area: 58.2; (8)Heavy Atom Count: 13; (9)Formal Charge: 1; (10)Complexity: 227; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)NC(=O)N2.[Na+]
(2)InChI: InChI=1S/C8H6N2O2.Na/c11-7-5-3-1-2-4-6(5)9-8(12)10-7;/h1-4H,(H2,9,10,11,12);/q;+1
(3)InChIKey: MLEFNFHVOTWYGQ-UHFFFAOYSA-N

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