Cas no 76621-35-7 (4,5,6-trimethyl-2(1H)-Pyridinone)
76621-35-7 structure
Product Name:4,5,6-trimethyl-2(1H)-Pyridinone
CAS No:76621-35-7
MF:C8H11NO
MW:137.179042100906
CID:1117385
PubChem ID:12589333
Update Time:2025-04-20
4,5,6-trimethyl-2(1H)-Pyridinone Chemical and Physical Properties
Names and Identifiers
-
- 4,5,6-trimethyl-2(1H)-Pyridinone
- 4,5,6-trimethylpyridin-2(1H)-one
- DTXSID101310277
- AB82587
- CMSSDZQNILGIDR-UHFFFAOYSA-N
- 4,5,6-TRIMETHYLPYRIDIN-2-OL
- 4,5,6-Trimethyl-2-pyridinol
- 76621-35-7
- SCHEMBL10083611
- SCHEMBL4928504
- 91914-09-9
-
- Inchi： 1S/C8H11NO/c1-5-4-8(10)9-7(3)6(5)2/h4H,1-3H3,(H,9,10)
- InChI Key： CMSSDZQNILGIDR-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)C(C)=C(C)N1
Computed Properties
- Exact Mass: 137.084063974g/mol
- Monoisotopic Mass: 137.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 236
- 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: 0.4
- Topological Polar Surface Area: 29.1?2
4,5,6-trimethyl-2(1H)-Pyridinone Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
76621-35-7 (4,5,6-trimethyl-2(1H)-Pyridinone) Related Products
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