Cas no 78831-35-3 (1,10-Phenanthroline-2,9-dicarboxylic acid, dimethyl ester)
78831-35-3 structure
Product Name:1,10-Phenanthroline-2,9-dicarboxylic acid, dimethyl ester
CAS No:78831-35-3
MF:C16H12N2O4
MW:296.277483940125
CID:533812
PubChem ID:10957422
Update Time:2025-04-19
1,10-Phenanthroline-2,9-dicarboxylic acid, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,10-Phenanthroline-2,9-dicarboxylic acid, dimethyl ester
- dimethyl 1,10-phenanthroline-2,9-dicarboxylate
- DTXSID20449816
- 78831-35-3
- SCHEMBL4995737
- URMOYCVRIPQSGY-UHFFFAOYSA-N
-
- Inchi： 1S/C16H12N2O4/c1-21-15(19)11-7-5-9-3-4-10-6-8-12(16(20)22-2)18-14(10)13(9)17-11/h3-8H,1-2H3
- InChI Key： URMOYCVRIPQSGY-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C2C=CC3=CC=C(C(=O)OC)N=C3C2=N1)=O
Computed Properties
- Exact Mass: 296.07970687g/mol
- Monoisotopic Mass: 296.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 402
- 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: 2.8
- Topological Polar Surface Area: 78.4?2
1,10-Phenanthroline-2,9-dicarboxylic acid, dimethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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