Cas no 21620-29-1 (1,4,8,11-Tetraoxacyclotetradecane-5,7,12,14-tetrone)
21620-29-1 structure
Product Name:1,4,8,11-Tetraoxacyclotetradecane-5,7,12,14-tetrone
CAS No:21620-29-1
MF:C10H12O8
MW:260.197484016418
CID:2656598
PubChem ID:574635
Update Time:2025-04-21
1,4,8,11-Tetraoxacyclotetradecane-5,7,12,14-tetrone Chemical and Physical Properties
Names and Identifiers
-
- 1,4,8,11-tetraoxacyclotetradecane-5,7,12,14-tetrone
- CTKMTNCPSWUZPW-UHFFFAOYSA-N
- Malonic acid, bimol. cyclic ethylene ester
- DTXSID80341640
- DTXCID00292721
- SCHEMBL12158580
- 21620-29-1
- 1,4,8,11-Tetraoxacyclotetradecane-5,7,12,14-tetrone
-
- Inchi： 1S/C10H12O8/c11-7-5-9(13)17-3-4-18-10(14)6-8(12)16-2-1-15-7/h1-6H2
- InChI Key： CTKMTNCPSWUZPW-UHFFFAOYSA-N
- SMILES： O1C(CC(=O)OCCOC(CC(=O)OCC1)=O)=O
Computed Properties
- Exact Mass: 260.05321734Da
- Monoisotopic Mass: 260.05321734Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 282
- 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: -0.2
- Topological Polar Surface Area: 105?2
1,4,8,11-Tetraoxacyclotetradecane-5,7,12,14-tetrone Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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