Cas no 80710-85-6 (Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis-)
![Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis- structure](https://ossimg.kuujia.com/scimg/81000/80710-85-6x500.png)
80710-85-6 structure
Product Name:Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis-
CAS No:80710-85-6
MF:C22H24N2O6
MW:412.435766220093
CID:705157
PubChem ID:20527675
Update Time:2025-04-19
Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis-
- 4-[[8-(4-carboxyanilino)-8-oxooctanoyl]amino]benzoic acid
- 80710-85-6
- SCHEMBL11031322
- 4,4'-[(1,8-Dioxooctane-1,8-diyl)diazanediyl]dibenzoic acid
- DTXSID00608388
-
- Inchi： 1S/C22H24N2O6/c25-19(23-17-11-7-15(8-12-17)21(27)28)5-3-1-2-4-6-20(26)24-18-13-9-16(10-14-18)22(29)30/h7-14H,1-6H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
- InChI Key： IASVLSZGBFOWFD-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCC(NC1C=CC(C(=O)O)=CC=1)=O)NC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 412.16343649g/mol
- Monoisotopic Mass: 412.16343649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 11
- Complexity: 540
- 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: 2.7
- Topological Polar Surface Area: 133?2
Benzoic acid, 4,4'-[(1,8-dioxo-1,8-octanediyl)diimino]bis- Related Literature
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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