Cas no 13186-54-4 (4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI))
13186-54-4 structure
Product Name:4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI)
CAS No:13186-54-4
MF:C5H4N2O4
MW:158.088802337646
CID:226338
PubChem ID:134668
Update Time:2025-04-19
4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI)
- 2,6-dioxo-3H-pyrimidine-4-carboxylic acid
- 2,6-dioxo(4-~14~C)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
- Orotic acid-6-C14
- Orotic-6-14C acid
- 2,6-Dihydroxy(4-~14~C)pyrimidine-4-carboxylic acid
- 13186-54-4
- 2,4-Dioxo-(614C)1H-pyrimidine-6-carboxylic acid
- DTXSID90927373
-
- Inchi： 1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/i2+2
- InChI Key： PXQPEWDEAKTCGB-HQMMCQRPSA-N
- SMILES： O=C1NC(C=[14C](C(=O)O)N1)=O
Computed Properties
- Exact Mass: 158.02
- Monoisotopic Mass: 158.02
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 268
- 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: _1.4
- Topological Polar Surface Area: 95.5?2
Experimental Properties
- Density: 1.642
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.568
4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
13186-54-4 (4-Pyrimidine-6-14C-carboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo- (9CI)) Related Products
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