Cas no 93982-12-8 (Pentanedioic acid,bis(nonylphenyl) ester (9CI))
93982-12-8 structure
Product Name:Pentanedioic acid,bis(nonylphenyl) ester (9CI)
CAS No:93982-12-8
MF:C35H52O4
MW:536.784991264343
CID:812457
PubChem ID:3023193
Update Time:2025-04-19
Pentanedioic acid,bis(nonylphenyl) ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid,bis(nonylphenyl) ester (9CI)
- bis(2-nonylphenyl) pentanedioate
- bis(nonylphenyl) glutarate
- DTXSID50240116
- 93982-12-8
- Bis-(nonylphenyl)glutarate
- EINECS 301-202-4
- NS00062424
-
- Inchi： 1S/C35H52O4/c1-3-5-7-9-11-13-15-22-30-24-17-19-26-32(30)38-34(36)28-21-29-35(37)39-33-27-20-18-25-31(33)23-16-14-12-10-8-6-4-2/h17-20,24-27H,3-16,21-23,28-29H2,1-2H3
- InChI Key： XOLPFCCYOWNLPE-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)OC1C=CC=CC=1CCCCCCCCC)=O)C1C=CC=CC=1CCCCCCCCC
Computed Properties
- Exact Mass: 536.38656014g/mol
- Monoisotopic Mass: 536.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 39
- Rotatable Bond Count: 24
- Complexity: 566
- 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: 12.5
- Topological Polar Surface Area: 52.6?2
Pentanedioic acid,bis(nonylphenyl) ester (9CI) Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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