Cas no 1076-17-1 (as-Indacene,1,2,3,6,7,8-hexahydro-)
1076-17-1 structure
Product Name:as-Indacene,1,2,3,6,7,8-hexahydro-
as-Indacene,1,2,3,6,7,8-hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- as-Indacene,1,2,3,6,7,8-hexahydro-
- 1,2,3,6,7,8-hexahydro-as-indacene
- 1,2,3,6,7,8-Hexahydro-cis-indacene
- 1076-17-1
- InChI=1/C12H14/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-8H,1-6H2
- CGIPSWGAIQVCNY-UHFFFAOYSA-N
- CGIPSWGAIQVCNY-UHFFFAOYSA-
- DTXSID30148106
-
- Inchi： 1S/C12H14/c1-3-9-7-8-10-4-2-6-12(10)11(9)5-1/h7-8H,1-6H2
- InChI Key： CGIPSWGAIQVCNY-UHFFFAOYSA-N
- SMILES： C12C(=CC=C3CCCC=13)CCC2
Computed Properties
- Exact Mass: 158.10962
- Monoisotopic Mass: 158.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 153
- 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: 0?2
Experimental Properties
- Density: 1.071
- Boiling Point: 253.4°C at 760 mmHg
- Flash Point: 102.2°C
- Refractive Index: 1.601
- PSA: 0
- LogP: 2.66400
as-Indacene,1,2,3,6,7,8-hexahydro- Related Literature
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1. Stereocontrolled construction of rigid tricyclic bis(α-amino acid) derivatives by Ru(Ii)-catalyzed cascade and Diels–Alder reactionsJon Efskind,Christian R?mming,Kjell Undheim J. Chem. Soc. Perkin Trans. 1 2001 2697
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2. Multimacrocyclic compounds. Part IV. Internal trimerisation of the triple bonds of linear triynes on a Ziegler catalystA. J. Hubert J. Chem. Soc. C 1967 1984
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Thomas Buttler,Ian Fleming,Sabine Gonsior,Bo-Hye Kim,A.-Young Sung,Hee-Gweon Woo Org. Biomol. Chem. 2005 3 1557
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