Cas no 28445-09-2 (1,4,5-Naphthalenetricarboxylic acid)
28445-09-2 structure
Product Name:1,4,5-Naphthalenetricarboxylic acid
CAS No:28445-09-2
MF:C13H8O6
MW:260.199024200439
CID:238177
Update Time:2024-01-26
1,4,5-Naphthalenetricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,4,5-Naphthalenetricarboxylic acid
- naphthalene-1,4,5-tricarboxylic acid
- CHEMBRDG-BB 5228167
- NAPHTHALENE-1,4,8-TRICARBOXYLIC ACID
-
- Inchi： 1S/C13H8O6/c14-11(15)7-4-5-9(13(18)19)10-6(7)2-1-3-8(10)12(16)17/h1-5H,(H,14,15)(H,16,17)(H,18,19)
- InChI Key： DDHQTWZKAJOZQL-UHFFFAOYSA-N
- SMILES： C1(C(O)=O)=C2C(C(C(O)=O)=CC=C2)=C(C(O)=O)C=C1
Computed Properties
- Exact Mass: 260.03204
- Monoisotopic Mass: 260.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 404
- 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: 1.5
Experimental Properties
- Density: 1.614
- Boiling Point: 627.9°C at 760 mmHg
- Flash Point: 347.5°C
- Refractive Index: 1.738
- PSA: 111.9
1,4,5-Naphthalenetricarboxylic acid Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
28445-09-2 (1,4,5-Naphthalenetricarboxylic acid) Related Products
- 86-55-5(1-Naphthoic acid)
- 40452-20-8(2-Phenanthrenecarboxylicacid)
- 1141-38-4(naphthalene-2,6-dicarboxylic acid)
- 128-97-2(Naphthalene-1,4,5,8-tetracarboxylic acid)
- 605-70-9(1,4-Naphthalenedicarboxylic acid)
- 2089-89-6(2,7-NDC)
- 7470-14-6(3-Phenanthrenecarboxylic acid)
- 723-62-6(9-Anthracenecarboxylic Acid)
- 93-09-4(naphthalene-2-carboxylic acid)
- 19694-02-1(1-Pyrenecarboxylic acid)
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