Cas no 85212-85-7 ( )
structure
Product Name:
CAS No:85212-85-7
MF:C13H14O7
MW:282.246064662933
CID:990191
PubChem ID:350471
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-[4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
- Dimethyl 2,2'-[(4-formyl-1,3-phenylene)bis(oxy)]diacetate
- DTXSID10325559
- NSC-511360
- 85212-85-7
- NSC511360
-
-
- Inchi： 1S/C13H14O7/c1-17-12(15)7-19-10-4-3-9(6-14)11(5-10)20-8-13(16)18-2/h3-6H,7-8H2,1-2H3
- InChI Key： IJZBVUYDAXAUDY-UHFFFAOYSA-N
- SMILES： O(CC(=O)OC)C1C=C(C=CC=1C=O)OCC(=O)OC
Computed Properties
- Exact Mass: 282.07395278g/mol
- Monoisotopic Mass: 282.07395278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 342
- 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: 1.2
- Topological Polar Surface Area: 88.1?2
Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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