Cas no 77319-34-7 (Furan, 2-(1-nonene-3,5,7-triynyl)-)
77319-34-7 structure
Product Name:Furan, 2-(1-nonene-3,5,7-triynyl)-
CAS No:77319-34-7
MF:C13H8O
MW:180.202023506165
CID:536312
PubChem ID:71403320
Update Time:2025-04-19
Furan, 2-(1-nonene-3,5,7-triynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Furan, 2-(1-nonene-3,5,7-triynyl)-
- 2-non-1-en-3,5,7-triynylfuran
- DTXSID30824236
- 2-(Non-1-ene-3,5,7-triyn-1-yl)furan
- 77319-34-7
-
- Inchi： 1S/C13H8O/c1-2-3-4-5-6-7-8-10-13-11-9-12-14-13/h8-12H,1H3
- InChI Key： WCFQDNGXQCLSCK-UHFFFAOYSA-N
- SMILES： O1C=CC=C1C=CC#CC#CC#CC
Computed Properties
- Exact Mass: 180.057514874g/mol
- Monoisotopic Mass: 180.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 402
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.2
- Topological Polar Surface Area: 13.1?2
Furan, 2-(1-nonene-3,5,7-triynyl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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