Cas no 31492-42-9 (pyridazine-4,5-diyldimethanol)
pyridazine-4,5-diyldimethanol structure
Product Name:pyridazine-4,5-diyldimethanol
CAS No:31492-42-9
MF:C6H8N2O2
MW:140.139921188354
CID:2736871
PubChem ID:20557659
Update Time:2024-03-01
pyridazine-4,5-diyldimethanol Chemical and Physical Properties
Names and Identifiers
-
- pyridazine-4,5-diyldimethanol
- 4,5-Pyridazinedimethanol
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- Inchi： 1S/C6H8N2O2/c9-3-5-1-7-8-2-6(5)4-10/h1-2,9-10H,3-4H2
- InChI Key： OIAJNPURXFXAEP-UHFFFAOYSA-N
- SMILES： C1=NN=CC(CO)=C1CO
Computed Properties
- Exact Mass: 140.058577502g/mol
- Monoisotopic Mass: 140.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 87.7
- 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: -1.9
- Topological Polar Surface Area: 66.2?2
pyridazine-4,5-diyldimethanol Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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