Cas no 93135-78-5 (1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]-)
![1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]- structure](https://ossimg.kuujia.com/scimg/93500/93135-78-5x500.png)
93135-78-5 structure
Product Name:1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]-
CAS No:93135-78-5
MF:C7H16O5
MW:180.198943138123
CID:1980683
PubChem ID:11745223
Update Time:2025-04-21
1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]-
- 2-(2-methoxyethoxymethoxy)propane-1,3-diol
- DTXSID90471649
- 93135-78-5
-
- Inchi： 1S/C7H16O5/c1-10-2-3-11-6-12-7(4-8)5-9/h7-9H,2-6H2,1H3
- InChI Key： KETIWGVHGWQRSK-UHFFFAOYSA-N
- SMILES： O(COCCOC)C(CO)CO
Computed Properties
- Exact Mass: 180.09977361Da
- Monoisotopic Mass: 180.09977361Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 83.9
- 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: -1.4
- Topological Polar Surface Area: 68.2?2
1,3-Propanediol, 2-[(2-methoxyethoxy)methoxy]- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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