Cas no 132499-85-5 ( )
structure
Product Name:
CAS No:132499-85-5
MF:C9H14Na2O4
MW:232.184605121613
CID:899052
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C9H16O4.2Na/c10-8(11)6-4-2-1-3-5-7-9(12)13;;/h1-7H2,(H,10,11)(H,12,13);;/q;2*+1/p-2
- InChI Key： QFYNUCAKHMSPCY-UHFFFAOYSA-L
- SMILES： [Na+].[Na+].C([O-])(=O)CCCCCCCC([O-])=O
Computed Properties
- Exact Mass: 232.069
- Monoisotopic Mass: 232.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 136
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3A^2
Experimental Properties
- Density: 1.131
- Melting Point: 160.5 deg C
- Boiling Point: 370.5°Cat760mmHg
- Flash Point: 192.1°C
Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Wan Lab Chip, 2020,20, 4528-4538
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