Cas no 62606-54-6 (Acetic acid, (hexylphenoxy)-)
Acetic acid, (hexylphenoxy)- structure
Product Name:Acetic acid, (hexylphenoxy)-
CAS No:62606-54-6
MF:C14H20O3
MW:236.306804656982
CID:438374
PubChem ID:14251886
Update Time:2025-04-19
Acetic acid, (hexylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, (hexylphenoxy)-
- 2-(2-hexylphenoxy)acetic acid
- DTXSID60558037
- (2-Hexylphenoxy)acetic acid
- 62606-54-6
-
- Inchi： 1S/C14H20O3/c1-2-3-4-5-8-12-9-6-7-10-13(12)17-11-14(15)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,15,16)
- InChI Key： VMTNWDWWTABYEE-UHFFFAOYSA-N
- SMILES： O(CC(=O)O)C1C=CC=CC=1CCCCCC
Computed Properties
- Exact Mass: 236.1413
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 216
- 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: 4.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Acetic acid, (hexylphenoxy)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
62606-54-6 (Acetic acid, (hexylphenoxy)-) Related Products
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