Cas no 77022-98-1 (3,6,9,12,15-Pentaoxaheptadecanedioic acid, 5,13-dioxo-)
77022-98-1 structure
Product Name:3,6,9,12,15-Pentaoxaheptadecanedioic acid, 5,13-dioxo-
CAS No:77022-98-1
MF:C12H18O11
MW:338.264725208282
CID:536892
PubChem ID:12601255
Update Time:2025-04-19
3,6,9,12,15-Pentaoxaheptadecanedioic acid, 5,13-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 3,6,9,12,15-Pentaoxaheptadecanedioic acid, 5,13-dioxo-
- 2-[2-[2-[2-[2-(carboxymethoxy)acetyl]oxyethoxy]ethoxy]-2-oxoethoxy]acetic acid
- DTXSID50504008
- 5,13-Dioxo-3,6,9,12,15-pentaoxaheptadecane-1,17-dioic acid
- 77022-98-1
-
- Inchi： 1S/C12H18O11/c13-9(14)5-20-7-11(17)22-3-1-19-2-4-23-12(18)8-21-6-10(15)16/h1-8H2,(H,13,14)(H,15,16)
- InChI Key： IVLOPSYWQQPETJ-UHFFFAOYSA-N
- SMILES： O(CCOC(COCC(=O)O)=O)CCOC(COCC(=O)O)=O
Computed Properties
- Exact Mass: 338.08484
- Monoisotopic Mass: 338.08491139g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 357
- 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: 155?2
Experimental Properties
- PSA: 154.89
3,6,9,12,15-Pentaoxaheptadecanedioic acid, 5,13-dioxo- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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