Cas no 93982-18-4 (Pentanedioic acid, mono(nonylphenyl)ester (9CI))
93982-18-4 structure
Product Name:Pentanedioic acid, mono(nonylphenyl)ester (9CI)
CAS No:93982-18-4
MF:C20H30O4
MW:334.449806690216
CID:818956
PubChem ID:44153904
Update Time:2025-04-19
Pentanedioic acid, mono(nonylphenyl)ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, mono(nonylphenyl)ester (9CI)
- 5-(2-nonylphenoxy)-5-oxopentanoic acid
- nonylphenyl hydrogen glutarate
- 93982-18-4
- NS00062887
- EINECS 301-209-2
- DTXSID00240121
-
- Inchi： 1S/C20H30O4/c1-2-3-4-5-6-7-8-12-17-13-9-10-14-18(17)24-20(23)16-11-15-19(21)22/h9-10,13-14H,2-8,11-12,15-16H2,1H3,(H,21,22)
- InChI Key： PQBJNSYXHMLIDE-UHFFFAOYSA-N
- SMILES： O(C(CCCC(=O)O)=O)C1C=CC=CC=1CCCCCCCCC
Computed Properties
- Exact Mass: 334.21440943g/mol
- Monoisotopic Mass: 334.21440943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 354
- 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: 5.6
- Topological Polar Surface Area: 63.6?2
Pentanedioic acid, mono(nonylphenyl)ester (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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