Cas no 39113-59-2 (2,4,6,8-Nonanetetrone)
2,4,6,8-Nonanetetrone structure
Product Name:2,4,6,8-Nonanetetrone
CAS No:39113-59-2
MF:C9H12O4
MW:184.189183235168
CID:1499027
PubChem ID:13086373
Update Time:2025-04-21
2,4,6,8-Nonanetetrone Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6,8-Nonanetetrone
- SCHEMBL10936077
- Nonane-2,4,6,8-tetraone
- 39113-59-2
-
- Inchi： 1S/C9H12O4/c1-6(10)3-8(12)5-9(13)4-7(2)11/h3-5H2,1-2H3
- InChI Key： MXBULAUIYCGYJY-UHFFFAOYSA-N
- SMILES： CC(CC(CC(CC(=O)C)=O)=O)=O
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 226
- 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: 0.1
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
2,4,6,8-Nonanetetrone Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
39113-59-2 (2,4,6,8-Nonanetetrone) Related Products
- 502-49-8(Cyclooctanone)
- 502-72-7(Cyclopentadecanone)
- 112-12-9(2-Undecanone)
- 504-02-9(Cyclohexane-1,3-dione)
- 593-08-8(2-Tridecanone)
- 693-54-9(Decan-2-one)
- 110-13-4(hexane-2,5-dione)
- 502-56-7(5-Nonanone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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