Cas no 40131-09-7 (Propanedioic acid,2-(methoxymethylene)-, 1,3-diethyl ester)
40131-09-7 structure
Product Name:Propanedioic acid,2-(methoxymethylene)-, 1,3-diethyl ester
CAS No:40131-09-7
MF:C9H14O5
MW:202.204463481903
CID:331167
PubChem ID:3016162
Update Time:2025-04-19
Propanedioic acid,2-(methoxymethylene)-, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid,2-(methoxymethylene)-, 1,3-diethyl ester
- diethyl 2-(methoxymethylene)malonate
- Diethyl methoxymethylenemalonate
- DTXSID20193160
- NS00030726
- diethyl (methoxymethylidene)propanedioate
- SCHEMBL214459
- InChI=1/C9H14O5/c1-4-13-8(10)7(6-12-3)9(11)14-5-2/h6H,4-5H2,1-3H
- EINECS 254-803-8
- diethyl 2-(methoxymethylidene)propanedioate
- LQAWZEZWVLAIHL-UHFFFAOYSA-N
- 40131-09-7
-
- Inchi： 1S/C9H14O5/c1-4-13-8(10)7(6-12-3)9(11)14-5-2/h6H,4-5H2,1-3H3
- InChI Key： LQAWZEZWVLAIHL-UHFFFAOYSA-N
- SMILES： O(C(/C(=C\OC)/C(=O)OCC)=O)CC
Computed Properties
- Exact Mass: 202.08412354g/mol
- Monoisotopic Mass: 202.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 211
- 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: 1.1
- Topological Polar Surface Area: 61.8?2
Propanedioic acid,2-(methoxymethylene)-, 1,3-diethyl ester Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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