Cas no 64131-70-0 (2,2-Diethoxyacetophenone)
2,2-Diethoxyacetophenone structure
Product Name:2,2-Diethoxyacetophenone
CAS No:64131-70-0
MF:C12H16O3
MW:208.253643989563
CID:2653918
Update Time:2023-08-07
2,2-Diethoxyacetophenone Chemical and Physical Properties
Names and Identifiers
-
- 2,2-Diethoxyacetophenone
- 2,2-Diethoxy-1-phenylethanone
- Ethanone, 2,2-diethoxy-1-phenyl-
- Phenylglyoxal diethyl acetal
- 2,2-Diethoxy-1-phenylethan-1-one
- alpha,alpha-Diethoxyacetophenone
- Benzoylformaldehyde Diethyl Acetal
- GLYOXAL, PHENYL-, 2-(DIETHYL ACETAL)
- W4BCZ1MAK3
- 2,2-diethoxy acetophenone
- PIZHFBODNLEQBL-UHFFFAOYSA-N
- 2,2-diethoxy-1-phenyl-ethanone
- diethoxyacetophenone
-
- Inchi： 1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
- InChI Key： PIZHFBODNLEQBL-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C1C=CC=CC=1)=O)OCC
- BRN： 2100306
Computed Properties
- Exact Mass: 208.109944
- Monoisotopic Mass: 208.109944
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 179
- 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: 2.2
- Topological Polar Surface Area: 35.5
2,2-Diethoxyacetophenone Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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