Cas no 118974-81-5 (6H-Purin-6-one,1,9-dihydro-, 7-oxide)
118974-81-5 structure
Product Name:6H-Purin-6-one,1,9-dihydro-, 7-oxide
CAS No:118974-81-5
MF:C5H4N4O2
MW:152.110859870911
CID:224897
PubChem ID:135600317
Update Time:2025-04-19
6H-Purin-6-one,1,9-dihydro-, 7-oxide Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,1,9-dihydro-, 7-oxide
- 1,9-Dihydro-6H-purin-6-one 7-oxide
- 7-hydroxy-3H-purin-6-one
- 7-hydroxy-3,7-dihydro-6H-purin-6-one
- hypoxanthine 7-N-oxide
- 118974-81-5
- 7-hydroxy-1H-purin-6-one
- DTXSID90922823
- 6H-Purin-6-one, 1,9-dihydro-, 7-oxide
- 7H-Purine-6,7-diol
-
- Inchi： 1S/C5H4N4O2/c10-5-3-4(6-1-7-5)8-2-9(3)11/h1-2,11H,(H,6,7,10)
- InChI Key： RBAILXDIIWBFAV-UHFFFAOYSA-N
- SMILES： ON1C=NC2=C1C(NC=N2)=O
Computed Properties
- Exact Mass: 152.03352
- Monoisotopic Mass: 152.033
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 79.5?2
Experimental Properties
- Density: 2.01
- Boiling Point: 547.4°Cat760mmHg
- Flash Point: 284.8°C
- Refractive Index: 1.908
- PSA: 79.51
6H-Purin-6-one,1,9-dihydro-, 7-oxide Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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