Cas no 14868-13-4 (Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester (9CI))
14868-13-4 structure
Product Name:Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester (9CI)
CAS No:14868-13-4
MF:C33H35Cl3O9
MW:681.984607934952
CID:193621
PubChem ID:203645
Update Time:2025-04-19
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester (9CI)
- 2,3-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]propyl 2-(4-chlorophenoxy)-2-methylpropanoate
- Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester
- 2-(p-Chlorophenoxy)-2-methylpropionic acid 1,2,3-propanetriyl ester
- DTXSID10164061
- 14868-13-4
- BRN 1899529
-
- Inchi： 1S/C33H35Cl3O9/c1-31(2,43-24-13-7-21(34)8-14-24)28(37)40-19-27(42-30(39)33(5,6)45-26-17-11-23(36)12-18-26)20-41-29(38)32(3,4)44-25-15-9-22(35)10-16-25/h7-18,27H,19-20H2,1-6H3
- InChI Key： QEJHOYOUOUQLAW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)OC(C)(C)C(=O)OC(COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O)COC(C(C)(C)OC1C=CC(=CC=1)Cl)=O
Computed Properties
- Exact Mass: 680.13485
- Monoisotopic Mass: 680.134666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 45
- Rotatable Bond Count: 17
- Complexity: 913
- 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: 8.7
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 106.59
Propanoic acid,2-(4-chlorophenoxy)-2-methyl-, 1,2,3-propanetriyl ester (9CI) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jason Wan Lab Chip, 2020,20, 4528-4538
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