Cas no 100971-82-2 (1-Butanone, 1,1'-(1,4-phenylene)bis-)
100971-82-2 structure
Product Name:1-Butanone, 1,1'-(1,4-phenylene)bis-
CAS No:100971-82-2
MF:C14H18O2
MW:218.291524410248
CID:1127481
PubChem ID:11138589
Update Time:2025-04-20
1-Butanone, 1,1'-(1,4-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1,1'-(1,4-phenylene)bis-
- 1-(4-butanoylphenyl)butan-1-one
- SCHEMBL26254861
- 100971-82-2
- DTXSID20456626
-
- Inchi： 1S/C14H18O2/c1-3-5-13(15)11-7-9-12(10-8-11)14(16)6-4-2/h7-10H,3-6H2,1-2H3
- InChI Key： AURSILZBIUDQGF-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)C(CCC)=O)CCC
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 211
- 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: 2.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1-Butanone, 1,1'-(1,4-phenylene)bis- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
100971-82-2 (1-Butanone, 1,1'-(1,4-phenylene)bis-) Related Products
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