Cas no 88070-38-6 (5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide)
88070-38-6 structure
Product Name:5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide
CAS No:88070-38-6
MF:C7H4N2O4
MW:180.117661476135
CID:646324
PubChem ID:127257739
Update Time:2025-04-19
5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide
- 2,4,6-trimethyl-1-oxidopyrimidin-1-ium-5-ol
- 88070-38-6
- 5-Hydroxypyrimidine-2,4,6-tricarbaldehyde
-
- Inchi： 1S/C7H4N2O4/c10-1-4-7(13)5(2-11)9-6(3-12)8-4/h1-3,13H
- InChI Key： VSTFHXQKFOTQEW-UHFFFAOYSA-N
- SMILES： OC1=C(C=O)N=C(C=O)N=C1C=O
Computed Properties
- Exact Mass: 180.01710661g/mol
- Monoisotopic Mass: 180.01710661g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 203
- 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: -0.2
- Topological Polar Surface Area: 97.2?2
5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
88070-38-6 (5-Pyrimidinol, 2,4,6-trimethyl-, 1-oxide) Related Products
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