Cas no 6935-85-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 1-hydroxypropane-2-sulfonic acid
- 1-Hydroxy-2-propanesulfonic acid
- NSC26249
- SCHEMBL490897
- 6935-85-9
- NSC 26249
- DS-021816
- 88497-16-9
-
-
- Inchi： 1S/C3H8O4S/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H,5,6,7)
- InChI Key： KDKIWFRRJZZYRP-UHFFFAOYSA-N
- SMILES： S(C(C)CO)(=O)(=O)O
Computed Properties
- Exact Mass: 277.92000
- Monoisotopic Mass: 140.01432991g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 141
- 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: -1.1
- Topological Polar Surface Area: 83?2
Experimental Properties
- PSA: 82.98000
- LogP: 0.33580
Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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