Cas no 3058-05-7 (2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid)
![2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid structure](https://ossimg.kuujia.com/scimg/3500/3058-05-7x500.png)
3058-05-7 structure
Product Name:2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid Chemical and Physical Properties
Names and Identifiers
-
- 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid
- 2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-dipropionic acid
- 3,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipropanoic acid
- 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoic acid(9CI)
- SCHEMBL294976
- EINECS 221-295-4
- 3058-05-7
- NS00047894
- 3,3'-(2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diyl)dipropionic acid
- 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid
- DTXSID60184658
- 3-[9-(2-carboxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]propanoicacid
-
- Inchi： 1S/C13H20O8/c14-9(15)1-3-11-18-5-13(6-19-11)7-20-12(21-8-13)4-2-10(16)17/h11-12H,1-8H2,(H,14,15)(H,16,17)
- InChI Key： PVCPWBCCWVKROB-UHFFFAOYSA-N
- SMILES： O1C(CCC(=O)O)OCC2(COC(CCC(=O)O)OC2)C1
Computed Properties
- Exact Mass: 304.1158
- Monoisotopic Mass: 304.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 327
- 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
- Topological Polar Surface Area: 112A^2
- XLogP3: -0.7
Experimental Properties
- Density: 1.37
- Boiling Point: 492.8°Cat760mmHg
- Flash Point: 184.5°C
- Refractive Index: 1.53
- PSA: 111.52
2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanoicacid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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