Cas no 77228-15-0 ( )
structure
Product Name:
CAS No:77228-15-0
MF:C9H12O5
MW:200.188583374023
CID:983290
PubChem ID:339381
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 77228-15-0
- NSC365788
- NSC-365788
- 2,2-dimethyl-5-(2-oxopropyl)-1,3-dioxane-4,6-dione
- DTXSID40320875
- DS-003472
-
-
- Inchi: 1S/C9H12O5/c1-5(10)4-6-7(11)13-9(2,3)14-8(6)12/h6H,4H2,1-3H3
- InChI Key: KIYLGKVYVNOCOB-UHFFFAOYSA-N
- SMILES: O1C(C(C(=O)OC1(C)C)CC(C)=O)=O
Computed Properties
- Exact Mass: 200.06846
- Monoisotopic Mass: 200.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 272
- 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: 0.3
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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