Cas no 3569-45-7 (Dihydromalvalsaeure)
Dihydromalvalsaeure structure
Product Name:Dihydromalvalsaeure
CAS No:3569-45-7
MF:C18H34O2
MW:282.461366176605
CID:2055091
PubChem ID:71359694
Update Time:2025-04-21
Dihydromalvalsaeure Chemical and Physical Properties
Names and Identifiers
-
- Dihydromalvalsaeure
- Malvalsaeure
- 7-(2-octylcyclopropyl)heptanoic acid
- Dihydromalvalic acid
- DTXSID50783538
- LMFA01140033
- 3569-45-7
- DTXCID90734281
- Dihydromalvalate
-
- Inchi： 1S/C18H34O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
- InChI Key： FSTZKYGQVCLPSX-UHFFFAOYSA-N
- SMILES： OC(CCCCCCC1CC1CCCCCCCC)=O
Computed Properties
- Exact Mass: 282.255880323g/mol
- Monoisotopic Mass: 282.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.7
- Topological Polar Surface Area: 37.3?2
Dihydromalvalsaeure Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Fatty Acyls Long-chain fatty acids
- Natural Products and Extracts Plant Extracts Plant based Radyera farragei
- Natural Products and Extracts Plant Extracts Plant based Jagera pseudorhus
- Natural Products and Extracts Plant Extracts Plant based Harpephyllum caffrum
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