Cas no 6946-93-6 (Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester)
6946-93-6 structure
Product Name:Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester
Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester
- NSC-57381
- propyl 1-hydroxycyclopentane-1-carboxylate
- 6946-93-6
- DTXSID60989367
- NSC57381
-
- Inchi： 1S/C9H16O3/c1-2-7-12-8(10)9(11)5-3-4-6-9/h11H,2-7H2,1H3
- InChI Key： YPPCPWVPAPEXJD-UHFFFAOYSA-N
- SMILES： OC1(C(=O)OCCC)CCCC1
Computed Properties
- Exact Mass: 421.11319
- Monoisotopic Mass: 172.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 1.4
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.294
- Refractive Index: 1.621
- PSA: 89.55
- LogP: 1.24470
Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
6946-93-6 (Cyclopentanecarboxylicacid, 1-hydroxy-, propyl ester) Related Products
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- 41248-23-1(Ethyl 1-hydroxycyclopentanecarboxylate)
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