Cas no 7251-32-3 (Diethyl 2-(diethoxymethyl)propanedioate)
7251-32-3 structure
Product Name:Diethyl 2-(diethoxymethyl)propanedioate
CAS No:7251-32-3
MF:C12H22O6
MW:262.299484729767
CID:1759774
PubChem ID:250862
Update Time:2025-04-21
Diethyl 2-(diethoxymethyl)propanedioate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 2-(diethoxymethyl)propanedioate
- AR-1I5002
- Diaethoxymethyl-malonsaeure-diaethylester
- CTK5D6312
- NSC70815
- AC1L5IKN
- diethoxymethylmalonic acid diethyl ester
- diethyl 2,2-diethoxymethylmalonate
- diethyl diethoxymethylmalonate
- diethoxymethyl-malonic acid diethyl ester
- AC1Q63SZ
- AG-J-32286
- diethyl(diethoxymethyl)propanedioate
- AR-1I5002; Diaethoxymethyl-malonsaeure-diaethylester; CTK5D6312; NSC70815; AC1L5IKN; diethoxymethylmalonic acid diethyl ester; diethyl 2,2-diethoxymethylmalonate; diethyl diethoxymethylmalonate; diethoxymethyl-malonic acid diethyl ester; AC1Q63SZ; AG-J-32286; diethyl(diethoxymethyl)propanedioate;
- NSC-70815
- SCHEMBL9857101
- HCYDISOBTJCACI-UHFFFAOYSA-N
- 7251-32-3
- DTXSID00290742
-
- Inchi： 1S/C12H22O6/c1-5-15-10(13)9(11(14)16-6-2)12(17-7-3)18-8-4/h9,12H,5-8H2,1-4H3
- InChI Key： HCYDISOBTJCACI-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)C(=O)OCC)OCC
Computed Properties
- Exact Mass: 262.14166
- Monoisotopic Mass: 262.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 229
- 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: 1.5
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- Density: 1.061
- Boiling Point: 320.9°C at 760 mmHg
- Flash Point: 136.4°C
- Refractive Index: 1.436
- PSA: 71.06
- LogP: 1.12790
Diethyl 2-(diethoxymethyl)propanedioate Related Literature
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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
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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