Cas no 630383-05-0 (Cyclohexanecarboxylic acid, 1-(4-iodophenyl)-)
630383-05-0 structure
Product Name:Cyclohexanecarboxylic acid, 1-(4-iodophenyl)-
CAS No:630383-05-0
MF:C13H15IO2
MW:330.161476373672
CID:1645200
PubChem ID:85891924
Update Time:2025-04-21
Cyclohexanecarboxylic acid, 1-(4-iodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-(4-iodophenyl)-
- DTXSID801264776
- 1-(4-Iodophenyl)cyclohexanecarboxylic acid
- 630383-05-0
- DB-180167
-
- Inchi： 1S/C13H15IO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)
- InChI Key： PNSFALMAQGPLAL-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)C1(C(=O)O)CCCCC1
Computed Properties
- Exact Mass: 330.01125
- Monoisotopic Mass: 330.01168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 251
- 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: 4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanecarboxylic acid, 1-(4-iodophenyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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