Cas no 98201-60-6 (Equagesic)
Equagesic structure
Product Name:Equagesic
CAS No:98201-60-6
MF:C9H8O4
MW:180.157423019409
CID:1002436
Update Time:2022-07-26
Equagesic Chemical and Physical Properties
Names and Identifiers
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- Equagesic
- 8-Hour bayer
-
- Inchi： 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
- InChI Key： BSYNRYMUTXBXSQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC=CC=C1OC(C)=O
Computed Properties
- Exact Mass: 180.042259
- Monoisotopic Mass: 180.042259
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 212
- 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: 1.2
- Topological Polar Surface Area: 63.6
Experimental Properties
- Melting Point: 135 deg C (rapid heating)
Equagesic Related Literature
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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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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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