Cas no 65915-88-0 (Spiro[cyclopropane-1,3'-[1,2]methanodicyclopropa[cd,gh]pentalene],octahydro- (9CI))
65915-88-0 structure
Product Name:Spiro[cyclopropane-1,3'-[1,2]methanodicyclopropa[cd,gh]pentalene],octahydro- (9CI)
Spiro[cyclopropane-1,3'-[1,2]methanodicyclopropa[cd,gh]pentalene],octahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Spiro[cyclopropane-1,3'-[1,2]methanodicyclopropa[cd,gh]pentalene],octahydro- (9CI)
- AC1L3OLO
-
- Inchi: 1S/C11H12/c1-2-11(1)9-5-3-4-7(9)8(4)10(11)6(3)5/h3-10H,1-2H2
- InChI Key: XRJMCRAIKHHJSF-UHFFFAOYSA-N
- SMILES: C12C3C4C5(CC5)C(C5C4C15)C23
Computed Properties
- Exact Mass: 144.094
- Monoisotopic Mass: 144.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.40±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 217.8±7.0 oC (760 Torr),
- Flash Point: 59.2±11.7 oC,
- Refractive Index: 1.717
- Solubility: Very slightly soluble (0.55 g/l) (25 o C),
Spiro[cyclopropane-1,3'-[1,2]methanodicyclopropa[cd,gh]pentalene],octahydro- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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