Cas no 91054-94-3 (3,3-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile)
91054-94-3 structure
Product Name:3,3-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile
CAS No:91054-94-3
MF:C9H14N2O3
MW:198.219062328339
CID:815948
PubChem ID:20509021
Update Time:2025-04-19
3,3-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile Chemical and Physical Properties
Names and Identifiers
-
- 3,3-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile
- 3,3'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bispropiononitrile
- 3-[3-(2-cyanoethoxy)-2-hydroxypropoxy]propanenitrile
- 91054-94-3
- SCHEMBL11161949
- NS00064661
- EINECS 293-344-8
- 3,3'-[(2-Hydroxypropane-1,3-diyl)bis(oxy)]dipropanenitrile
- DTXSID50919991
- 3,3'-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile
-
- Inchi： 1S/C9H14N2O3/c10-3-1-5-13-7-9(12)8-14-6-2-4-11/h9,12H,1-2,5-8H2
- InChI Key： KBUBTZMZSVZFQU-UHFFFAOYSA-N
- SMILES： O(CCC#N)CC(COCCC#N)O
Computed Properties
- Exact Mass: 198.10044231g/mol
- Monoisotopic Mass: 198.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 201
- 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: -1.3
- Topological Polar Surface Area: 86.3?2
3,3-((2-Hydroxypropane-1,3-diyl)bis(oxy))bispropiononitrile Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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