Cas no 169812-47-9 ()
structure
Product Name:
CAS No:169812-47-9
MF:C7H12O3S
MW:176.233381271362
CID:6647854
PubChem ID:10821165
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C7H12O3S/c1-4(2)6(7(9)10)11-5(3)8/h4,6H,1-3H3,(H,9,10)
- InChI Key： XYMGIUGZGBRXOH-UHFFFAOYSA-N
- SMILES： S(C(C)=O)C(C(=O)O)C(C)C
Computed Properties
- Exact Mass: 176.05071541g/mol
- Monoisotopic Mass: 176.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 79.7?2
Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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