Cas no 2739-79-9 (Undecanoic acid,11-(3-carboxypropoxy)-)
2739-79-9 structure
Product Name:Undecanoic acid,11-(3-carboxypropoxy)-
CAS No:2739-79-9
MF:C15H28O5
MW:288.379825592041
CID:260421
Update Time:2024-01-27
Undecanoic acid,11-(3-carboxypropoxy)- Chemical and Physical Properties
Names and Identifiers
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- Undecanoic acid,11-(3-carboxypropoxy)-
- 5-Oxahexadecanedioicacid
- Undecanoic acid, 11-(3-carboxypropoxy)-
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- Inchi： 1S/C15H28O5/c16-14(17)10-7-5-3-1-2-4-6-8-12-20-13-9-11-15(18)19/h1-13H2,(H,16,17)(H,18,19)
- InChI Key： TWKDOGIMEOJAJF-UHFFFAOYSA-N
- SMILES： C(O)(=O)CCCCCCCCCCOCCCC(O)=O
Computed Properties
- Exact Mass: 288.19374
- Monoisotopic Mass: 288.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 253
- 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: 83.8A^2
Experimental Properties
- Density: 1.061±0.06 g/cm3(Predicted)
- Melting Point: 71-73 °C
- Boiling Point: 465.5±20.0 °C(Predicted)
- PSA: 83.83
- pka: 4?+-.0.10(Predicted)
Undecanoic acid,11-(3-carboxypropoxy)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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