Cas no 104715-86-8 (Pyrene, 4-butyl-)
Pyrene, 4-butyl- structure
Product Name:Pyrene, 4-butyl-
CAS No:104715-86-8
MF:C20H18
MW:258.356925487518
CID:1148979
PubChem ID:71333294
Update Time:2025-04-20
Pyrene, 4-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrene, 4-butyl-
- 4-butylpyrene
- 104715-86-8
- DTXSID50761578
-
- Inchi： 1S/C20H18/c1-2-3-6-16-13-17-9-4-7-14-11-12-15-8-5-10-18(16)20(15)19(14)17/h4-5,7-13H,2-3,6H2,1H3
- InChI Key： XBPKYALGMCFNAH-UHFFFAOYSA-N
- SMILES： C12C3=CC=CC1=C(C=C1C=CC=C(C=C3)C=21)CCCC
Computed Properties
- Exact Mass: 258.14094
- Monoisotopic Mass: 258.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 333
- 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: 6.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
- LogP: 5.92660
Pyrene, 4-butyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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