Cas no 90399-46-5 (Octanoic acid, (2,2-dichloro-3-octylcyclopropyl)-)
90399-46-5 structure
Product Name:Octanoic acid, (2,2-dichloro-3-octylcyclopropyl)-
CAS No:90399-46-5
MF:C19H34Cl2O2
MW:365.378064632416
CID:788832
PubChem ID:71429136
Update Time:2025-04-19
Octanoic acid, (2,2-dichloro-3-octylcyclopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, (2,2-dichloro-3-octylcyclopropyl)-
- 2-(2,2-dichloro-3-octylcyclopropyl)octanoic acid
- DTXSID20847838
- 90399-46-5
-
- Inchi： 1S/C19H34Cl2O2/c1-3-5-7-9-10-12-14-16-17(19(16,20)21)15(18(22)23)13-11-8-6-4-2/h15-17H,3-14H2,1-2H3,(H,22,23)
- InChI Key： PUGMDTVJZGPEMS-UHFFFAOYSA-N
- SMILES： ClC1(C(CCCCCCCC)C1C(C(=O)O)CCCCCC)Cl
Computed Properties
- Exact Mass: 364.1935857g/mol
- Monoisotopic Mass: 364.1935857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 14
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.4
- Topological Polar Surface Area: 37.3?2
Octanoic acid, (2,2-dichloro-3-octylcyclopropyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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