14320-04-8 Purity
99%
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Specification
The molecular formula of NTDA is C14H4O6.
The molecular weight of NTDA is 268.18 g/mol.
Some synonyms for NTDA include 1,4,5,8-Naphthalenetetracarboxylic dianhydride and Isochromeno[6,5,4-def]isochromene-1,3,6,8-tetraone.
The IUPAC name of NTDA is 6,13-dioxatetracyclo[6.6.2.0 4,16 .0 11,15 ]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
The InChI of NTDA is InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H.
The InChIKey of NTDA is YTVNOVQHSGMMOV-UHFFFAOYSA-N.
The canonical SMILES notation of NTDA is C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O.
The XLogP3-AA value for NTDA is 1.9.
NTDA has 6 hydrogen bond acceptors.
The topological polar surface area of NTDA is 86.7 Ų.