Cas no 25064-07-7 (Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1))
25064-07-7 structure
Product Name:Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
CAS No:25064-07-7
MF:C6H7NaO5
MW:182.106553316116
CID:267799
PubChem ID:23666022
Update Time:2025-04-19
Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1)
- sodium,3-methoxy-2-methoxycarbonyl-3-oxoprop-1-en-1-olate
- sodium 3-methoxy-2-(methoxycarbonyl)-3-oxoprop-1-en-1-olate
- Sodium dimethyl (oxidomethylene)malonate
- 25064-07-7
- DTXSID00179760
- EINECS 246-596-8
-
- Inchi: 1S/C6H8O5.Na/c1-10-5(8)4(3-7)6(9)11-2;/h3,7H,1-2H3;/q;+1/p-1
- InChI Key: GTSNNLKEYYAUGF-UHFFFAOYSA-M
- SMILES: [Na+].O(C)C(/C(=C/[O-])/C(=O)OC)=O
Computed Properties
- Exact Mass: 182.01911
- Monoisotopic Mass: 182.019118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 180
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.7
Experimental Properties
- Boiling Point: 184°Cat760mmHg
- Flash Point: 67.1°C
- PSA: 75.66
Propanedioic acid,2-(hydroxymethylene)-, 1,3-dimethyl ester, sodium salt (1:1) Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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