Cas no 52533-09-2 (1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-)
52533-09-2 structure
Product Name:1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-
CAS No:52533-09-2
MF:C9H7NO3S
MW:209.221781015396
CID:359401
PubChem ID:819456
Update Time:2025-04-19
1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-
- 5-(4-methoxyphenyl)-1,3,4-oxathiazol-2-one
- 5-(4-methoxyphenyl)-2H-1,3,4-oxathiazol-2-one
- SSQZETVFNJLZAA-UHFFFAOYSA-N
- AJ-797/40757639
- SCHEMBL1425626
- 5-(4-Methoxyphenyl)-[1,3,4]oxathiazol-2-one
- 5-(4-methoxyphenyl)-[1,3,4]oxathiazolin-2-one
- 52533-09-2
- DTXSID10356085
-
- Inchi: 1S/C9H7NO3S/c1-12-7-4-2-6(3-5-7)8-10-14-9(11)13-8/h2-5H,1H3
- InChI Key: SSQZETVFNJLZAA-UHFFFAOYSA-N
- SMILES: S1C(=O)OC(C2C=CC(=CC=2)OC)=N1
Computed Properties
- Exact Mass: 209.01471
- Monoisotopic Mass: 209.01466426g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 2.1
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 47.89
1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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