Cas no 93982-14-0 (Hexanedioic acid, mono(nonylphenyl)ester (9CI))
93982-14-0 structure
Product Name:Hexanedioic acid, mono(nonylphenyl)ester (9CI)
CAS No:93982-14-0
MF:C21H32O4
MW:348.476387023926
CID:819127
PubChem ID:44152680
Update Time:2025-04-19
Hexanedioic acid, mono(nonylphenyl)ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, mono(nonylphenyl)ester (9CI)
- 6-(2-nonylphenoxy)-6-oxohexanoic acid
- nonylphenyl hydrogen adipate
- 93982-14-0
- DTXSID70240118
- EINECS 301-205-0
- NS00062722
-
- Inchi： 1S/C21H32O4/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)25-21(24)17-12-11-16-20(22)23/h9-10,14-15H,2-8,11-13,16-17H2,1H3,(H,22,23)
- InChI Key： JTGBFUOKEMPUSH-UHFFFAOYSA-N
- SMILES： O(C(CCCCC(=O)O)=O)C1C=CC=CC=1CCCCCCCCC
Computed Properties
- Exact Mass: 348.23005950g/mol
- Monoisotopic Mass: 348.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 15
- Complexity: 367
- 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: 6
- Topological Polar Surface Area: 63.6?2
Hexanedioic acid, mono(nonylphenyl)ester (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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