Cas no 26595-27-7 (Propanedioicacid, 2,2-dimethyl-, 1,3-diphenyl ester)
26595-27-7 structure
Product Name:Propanedioicacid, 2,2-dimethyl-, 1,3-diphenyl ester
CAS No:26595-27-7
MF:C17H16O4
MW:284.306545257568
CID:290211
PubChem ID:314227
Update Time:2025-04-19
Propanedioicacid, 2,2-dimethyl-, 1,3-diphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioicacid, 2,2-dimethyl-, 1,3-diphenyl ester
- diphenyl 2,2-dimethylpropanedioate
- AC1L7P6N
- dimethyl-malonic acid diphenyl ester
- Dimethylmalonic acid, diphenyl ester
- Dimethyl-malonsaeure-diphenylester
- NSC231504
- DTXSID90310741
- 26595-27-7
- Diphenyl dimethylpropanedioate
- NSC-231504
- HWZVGGMEXHEECA-UHFFFAOYSA-N
-
- Inchi： 1S/C17H16O4/c1-17(2,15(18)20-13-9-5-3-6-10-13)16(19)21-14-11-7-4-8-12-14/h3-12H,1-2H3
- InChI Key： HWZVGGMEXHEECA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C(C(=O)OC1C=CC=CC=1)(C)C)=O
Computed Properties
- Exact Mass: 284.10488
- Monoisotopic Mass: 284.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 329
- 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: 4.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.174
- Boiling Point: 414.1°Cat760mmHg
- Flash Point: 206.6°C
- Refractive Index: 1.555
- PSA: 52.6
- LogP: 3.22380
Propanedioicacid, 2,2-dimethyl-, 1,3-diphenyl ester Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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