Cas no 2345-12-2 (Tridecanoic acid,12-oxo-)
Tridecanoic acid,12-oxo- structure
Product Name:Tridecanoic acid,12-oxo-
Tridecanoic acid,12-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid,12-oxo-
- 12-Ketotridecanoic acid
- 12-Oxotridecanoic acid
- NS00048771
- DTXSID1062332
- EINECS 219-060-6
- NRVDTUOVKXZNCW-UHFFFAOYSA-N
- 12-keto tridecanoic acid
- 12-Oxotridecanoic acid #
- LMFA01060043
- AKOS025296215
- 2345-12-2
- Tridecanoic acid, 12-oxo-
- CHEBI:185248
- SCHEMBL2349956
- 12-oxo-tridecanoic acid
-
- Inchi： 1S/C13H24O3/c1-12(14)10-8-6-4-2-3-5-7-9-11-13(15)16/h2-11H2,1H3,(H,15,16)
- InChI Key： NRVDTUOVKXZNCW-UHFFFAOYSA-N
- SMILES： O=C(C)CCCCCCCCCCC(=O)O
Computed Properties
- Exact Mass: 228.17262
- Monoisotopic Mass: 228.173
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 199
- 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: 3.6
- Topological Polar Surface Area: 54.4A^2
Experimental Properties
- Density: 0.972
- Boiling Point: 361.9°Cat760mmHg
- Flash Point: 186.8°C
- Refractive Index: 1.456
- PSA: 54.37
Tridecanoic acid,12-oxo- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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