Cas no 31931-77-8 (Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)-)
31931-77-8 structure
Product Name:Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)-
CAS No:31931-77-8
MF:C10H13NO
MW:163.216322660446
CID:300164
PubChem ID:119089666
Update Time:2025-04-19
Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)-
- Ketone,2-ethyl-5-methyl-3-pyridyl methyl (8CI)
- DTXSID301273986
- 1-(2-Ethyl-5-methyl-3-pyridinyl)ethanone
- 31931-77-8
-
- Inchi： 1S/C10H13NO/c1-4-10-9(8(3)12)5-7(2)6-11-10/h5-6H,4H2,1-3H3
- InChI Key： KKRXDACWSFGHEU-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC(C)=CN=C1CC
Computed Properties
- Exact Mass: 163.09979
- Monoisotopic Mass: 163.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 167
- 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
- Topological Polar Surface Area: 30A^2
- XLogP3: 1.7
Experimental Properties
- PSA: 29.96
Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
31931-77-8 (Ethanone,1-(2-ethyl-5-methyl-3-pyridinyl)-) Related Products
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