Cas no 40094-65-3 ( )
structure
Product Name:
CAS No:40094-65-3
MF:C6H6O6
MW:174.108242511749
CID:925307
PubChem ID:22011564
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- oxaldehyde
- 1,2-Ethanedione
- Biformal
- Biformyl
- Diformal
- Diformyl
- Ethanedial
- Glyoxylaldehyde
- Oxalaldehyde
- Ethanedial, trimer
- NSC 262684
- 40094-65-3
- Ethanediol, trimer
-
-
- Inchi： 1S/3C2H2O2/c3*3-1-2-4/h3*1-2H
- InChI Key： XNGNMEKJNFIWRE-UHFFFAOYSA-N
- SMILES： O=CC=O.O=CC=O.O=CC=O
Computed Properties
- Exact Mass: 58.00546
- Monoisotopic Mass: 174.01643791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 25
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102?2
Experimental Properties
- PSA: 34.14
- LogP: -0.61580
Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
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
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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