Cas no 89769-25-5 (Ethanol, 2-(3,3-diethoxypropoxy)-)
89769-25-5 structure
Product Name:Ethanol, 2-(3,3-diethoxypropoxy)-
CAS No:89769-25-5
MF:C9H20O4
MW:192.252703666687
CID:589607
PubChem ID:13183693
Update Time:2025-04-19
Ethanol, 2-(3,3-diethoxypropoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-(3,3-diethoxypropoxy)-
- 2-(3,3-diethoxypropoxy)ethanol
- 2-(3,3-Diethoxypropoxy)ethan-1-ol
- 89769-25-5
- DTXSID70525518
- SCHEMBL13319641
-
- Inchi： 1S/C9H20O4/c1-3-12-9(13-4-2)5-7-11-8-6-10/h9-10H,3-8H2,1-2H3
- InChI Key： NHOCNRURDNJODJ-UHFFFAOYSA-N
- SMILES： O(CC)C(CCOCCO)OCC
Computed Properties
- Exact Mass: 192.13615911g/mol
- Monoisotopic Mass: 192.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 9
- Complexity: 91.6
- 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: 0.4
- Topological Polar Surface Area: 47.9?2
Ethanol, 2-(3,3-diethoxypropoxy)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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