Cas no 28128-20-3 (9H-Purine-2-carboxylicacid)
9H-Purine-2-carboxylicacid structure
Product Name:9H-Purine-2-carboxylicacid
CAS No:28128-20-3
MF:C6H4N4O2
MW:164.121560096741
CID:251790
PubChem ID:17967868
Update Time:2025-04-19
9H-Purine-2-carboxylicacid Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-2-carboxylicacid
- Purine-2-carboxylicacid (8CI)
- 7H-purine-2-carboxylic acid
- 9H-Purine-2-carboxylic acid
- puric acid
- DTXSID10591818
- SCHEMBL788098
- 28128-20-3
-
- Inchi： 1S/C6H4N4O2/c11-6(12)5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H,11,12)(H,7,8,9,10)
- InChI Key： MXQXWJVQZHHBJV-UHFFFAOYSA-N
- SMILES： OC(C1N=CC2=C(N=CN2)N=1)=O
Computed Properties
- Exact Mass: 164.03352
- Monoisotopic Mass: 164.03342538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 198
- 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
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- PSA: 91.76
9H-Purine-2-carboxylicacid Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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