Cas no 14496-73-2 (Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI))
![Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI) structure](https://ossimg.kuujia.com/scimg/14500/14496-73-2x500.png)
14496-73-2 structure
Product Name:Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI)
CAS No:14496-73-2
MF:C45H48Cl4O12
MW:922.667430877686
CID:184354
PubChem ID:203462
Update Time:2025-04-19
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI)
- [3-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2,2-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxymethyl]propyl] 2-(4-chlorophenoxy)-2-methylpropanoate
- Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester
- DTXSID40162853
- BRN 1899866
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, neopentanetetrayl ester
- 14496-73-2
- 2-(p-Chlorophenoxy)-2-methylpropionic acid neopentanetetrayl ester
-
- Inchi： 1S/C45H48Cl4O12/c1-41(2,58-33-17-9-29(46)10-18-33)37(50)54-25-45(26-55-38(51)42(3,4)59-34-19-11-30(47)12-20-34,27-56-39(52)43(5,6)60-35-21-13-31(48)14-22-35)28-57-40(53)44(7,8)61-36-23-15-32(49)16-24-36/h9-24H,25-28H2,1-8H3
- InChI Key： NEJADYBPPRUFBE-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC(C)(C)C(=O)OCC(COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O)(COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O)COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 920.19024
- Monoisotopic Mass: 920.189988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 61
- Rotatable Bond Count: 24
- Complexity: 1210
- 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: 11.6
- Topological Polar Surface Area: 142?2
Experimental Properties
- PSA: 142.12
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-,2,2-bis[[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]methyl]-1,3-propanediylester (9CI) Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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