Cas no 58283-28-6 (Methanone, [4-methoxy-3-[(methylsulfonyl)methyl]phenyl]-2-pyridinyl-)
58283-28-6 structure
Product Name:Methanone, [4-methoxy-3-[(methylsulfonyl)methyl]phenyl]-2-pyridinyl-
CAS No:58283-28-6
MF:C15H15NO4S
MW:305.34890294075
CID:342610
PubChem ID:54255595
Update Time:2025-04-19
Methanone, [4-methoxy-3-[(methylsulfonyl)methyl]phenyl]-2-pyridinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, [4-methoxy-3-[(methylsulfonyl)methyl]phenyl]-2-pyridinyl-
- [4-methoxy-3-(methylsulfonylmethyl)phenyl]-pyridin-2-ylmethanone
- DTXSID80710079
- {3-[(Methanesulfonyl)methyl]-4-methoxyphenyl}(pyridin-2-yl)methanone
- 58283-28-6
- SCHEMBL11872865
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- Inchi: 1S/C15H15NO4S/c1-20-14-7-6-11(9-12(14)10-21(2,18)19)15(17)13-5-3-4-8-16-13/h3-9H,10H2,1-2H3
- InChI Key: QZVBZWWEEHLEEC-UHFFFAOYSA-N
- SMILES: S(C)(CC1C=C(C(C2C=CC=CN=2)=O)C=CC=1OC)(=O)=O
Computed Properties
- Exact Mass: 305.07225
- Monoisotopic Mass: 305.07217913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 457
- 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: 1.7
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- PSA: 73.33
Methanone, [4-methoxy-3-[(methylsulfonyl)methyl]phenyl]-2-pyridinyl- Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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