Cas no 226712-31-8 (1-Pentanone, 1-(4-iodophenyl)-)
226712-31-8 structure
Product Name:1-Pentanone, 1-(4-iodophenyl)-
CAS No:226712-31-8
MF:C11H13IO
MW:288.124795675278
CID:1411224
PubChem ID:5133169
Update Time:2025-04-20
1-Pentanone, 1-(4-iodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone, 1-(4-iodophenyl)-
- 226712-31-8
- AKOS009337823
- 1-(4-iodophenyl)pentan-1-one
- SCHEMBL4936177
- 1-(4-Iodophenyl)-1-pentanone
- STK076202
-
- Inchi： 1S/C11H13IO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
- InChI Key： GLMOSAYFENACPD-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)C(CCCC)=O
Computed Properties
- Exact Mass: 288.00069
- Monoisotopic Mass: 288.00111g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 17.1?2
Experimental Properties
- PSA: 17.07
1-Pentanone, 1-(4-iodophenyl)- Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
226712-31-8 (1-Pentanone, 1-(4-iodophenyl)-) Related Products
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