Cas no 62032-54-6 (1,3-Dioxolane-2-acetaldehyde, 2-(3-oxobutyl)-)
62032-54-6 structure
Product Name:1,3-Dioxolane-2-acetaldehyde, 2-(3-oxobutyl)-
CAS No:62032-54-6
MF:C9H14O4
MW:186.205063343048
CID:460204
PubChem ID:71390522
Update Time:2025-04-19
1,3-Dioxolane-2-acetaldehyde, 2-(3-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-2-acetaldehyde, 2-(3-oxobutyl)-
- 2-[2-(3-oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
- DTXSID20812425
- [2-(3-Oxobutyl)-1,3-dioxolan-2-yl]acetaldehyde
- 62032-54-6
-
- Inchi： 1S/C9H14O4/c1-8(11)2-3-9(4-5-10)12-6-7-13-9/h5H,2-4,6-7H2,1H3
- InChI Key： HNGMEKAPAMEJNP-UHFFFAOYSA-N
- SMILES： O1CCOC1(CC=O)CCC(C)=O
Computed Properties
- Exact Mass: 186.08922
- Monoisotopic Mass: 186.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 194
- 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: -0.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,3-Dioxolane-2-acetaldehyde, 2-(3-oxobutyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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