Cas no 66868-15-3 (2,4(1H,3H)-Quinazolinedione,sodium salt (1:1))
66868-15-3 structure
Product Name:2,4(1H,3H)-Quinazolinedione,sodium salt (1:1)
CAS No:66868-15-3
MF:C8H6N2NaO2
MW:185.135212421417
CID:520590
PubChem ID:24183329
Update Time:2025-04-19
2,4(1H,3H)-Quinazolinedione,sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Quinazolinedione,sodium salt (1:1)
- sodium,1H-quinazoline-2,4-dione
- 2,4(1H,3H)-Quinazolinedione,monosodium salt (9CI)
- Sodium, [(3,4-dihydro-4-oxo-2-quinazolinyl)oxy]- (7CI)
- sodium;1H-quinazoline-2,4-dione
- NSC26437
- DTXSID80636700
- NSC-26437
- 66868-15-3
-
- 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
- InChI Key： MLEFNFHVOTWYGQ-UHFFFAOYSA-N
- SMILES： [Na+].O=C1C2C=CC=CC=2NC(N1)=O
Computed Properties
- Exact Mass: 185.033
- Monoisotopic Mass: 185.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 227
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 58.2A^2
2,4(1H,3H)-Quinazolinedione,sodium salt (1:1) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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