Cas no 5745-89-1 (Tetradecanoic acid, 3,5,7,9,11,13-hexaoxo-)
5745-89-1 structure
Product Name:Tetradecanoic acid, 3,5,7,9,11,13-hexaoxo-
CAS No:5745-89-1
MF:C14H16O8
MW:312.272045135498
CID:345300
PubChem ID:71444129
Update Time:2025-04-19
Tetradecanoic acid, 3,5,7,9,11,13-hexaoxo- Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid, 3,5,7,9,11,13-hexaoxo-
- 3,5,7,9,11,13-hexaoxotetradecanoic acid
- 5745-89-1
- DTXSID80852928
-
- Inchi： 1S/C14H16O8/c1-8(15)2-9(16)3-10(17)4-11(18)5-12(19)6-13(20)7-14(21)22/h2-7H2,1H3,(H,21,22)
- InChI Key： MBHNDSBFNUBLMX-UHFFFAOYSA-N
- SMILES： O=C(CC(CC(CC(=O)O)=O)=O)CC(CC(CC(C)=O)=O)=O
Computed Properties
- Exact Mass: 312.08448
- Monoisotopic Mass: 312.08451746g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 529
- 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: -1.1
- Topological Polar Surface Area: 140?2
Experimental Properties
- PSA: 139.72
Tetradecanoic acid, 3,5,7,9,11,13-hexaoxo- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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