Cas no 199926-43-7 (1,4,5,8-Naphthalenetetracarboxylic acid hydrate)
199926-43-7 structure
Product Name:1,4,5,8-Naphthalenetetracarboxylic acid hydrate
CAS No:199926-43-7
MF:C14H10O9
MW:322.223804950714
CID:2840169
Update Time:2023-08-07
1,4,5,8-Naphthalenetetracarboxylic acid hydrate Chemical and Physical Properties
Names and Identifiers
-
- naphthalene-1,4,5,8-tetracarboxylic acid,hydrate
- 1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID HYDRATE
- naphthalene-1,4,5,8-tetracarboxylic acid;hydrate
- C14H8O8.H2O
- 6257AF
- 1,4,5,8-Napthalenetetracarboxylic acid hydrate
- NAPHTHALENE-1,4,5,8-TETRACARBOXYLIC ACID HYDRATE
- Naphthalene-1,4,5,8-tetracarboxylic acid--water (1/1)
- 1,4,5,8-Naphthalenetetracarboxylic acid hydrate
-
- Inchi： 1S/C14H8O8.H2O/c15-11(16)5-1-2-6(12(17)18)10-8(14(21)22)4-3-7(9(5)10)13(19)20;/h1-4H,(H,15,16)(H,17,18)(H,19,20)(H,21,22);1H2
- InChI Key： JOTVGKXYQGCQDO-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(C(=O)O)=C2C(C(=O)O)=CC=C(C(=O)O)C2=1)=O.O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 423
- Topological Polar Surface Area: 150
1,4,5,8-Naphthalenetetracarboxylic acid hydrate Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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