Cas no 34733-74-9 (bicyclo[4.2.1]nona-2,4,7-trien-9-one)
34733-74-9 structure
Product Name:bicyclo[4.2.1]nona-2,4,7-trien-9-one
bicyclo[4.2.1]nona-2,4,7-trien-9-one Chemical and Physical Properties
Names and Identifiers
-
- bicyclo[4.2.1]nona-2,4,7-trien-9-one
- AC1L3K2H
- AG-F-19120
- AGN-PC-006Z1K
- Bicyclo(4.2.1)nona-2,4,7-trien-9-one
- Bicyclo< 4.2.1> nona-2,4,7-trien-9-on
- Bicyclo< 4.2.1> nona-2,4,7-trien-9-one
- bicyclo< 4.2.1> nona-2,4,7-triene-9-one
- Bicyclo< 4.2.1> nona-2,4,7-trienon
- Bicyclo< 4.2.1> -Nona-2.4.7-trien-9-on
- Bicyclo< 4.2.1> nonatrien-(2,4,7)-on-(9)
- CTK1C4848
- NSC158182
- SCHEMBL13858019
- NSC 158182
- DTXSID40956219
- QNWYHEJARIDZAR-UHFFFAOYSA-N
- 34733-74-9
- NSC-158182
-
- Inchi: 1S/C9H8O/c10-9-7-3-1-2-4-8(9)6-5-7/h1-8H
- InChI Key: QNWYHEJARIDZAR-UHFFFAOYSA-N
- SMILES: O=C1C2C=CC=CC1C=C2
Computed Properties
- Exact Mass: 132.05754
- Monoisotopic Mass: 132.057514874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 222
- 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: 1.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
bicyclo[4.2.1]nona-2,4,7-trien-9-one Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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