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9,10-Anthracenedicarboxylic acid

Catalog Number
ACM73016087-1
Product Name
9,10-Anthracenedicarboxylic acid
CAS
73016-08-7
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
H2ADC
Description
9,10-Anthracenedicarboxylic acid (H2L) is an anthracene based dicarboxylic compound, which has a larger conjugating π-system that enables the development of fluorescent materials. It has interesting magnetic and luminescent properties. It can be used as a bridging carboxylic acid ligand with a steric bulk due to the presence of its anthracene ring.
IUPAC Name
anthracene-9,10-dicarboxylic acid
Molecular Weight
266.25
Molecular Formula
C16H10O4
Canonical SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)O)C(=O)O
InChI
1S/C16H10O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H,(H,17,18)(H,19,20)
InChI Key
FDFGHPKPHFUHBP-UHFFFAOYSA-N
Boiling Point
>300 °C
Melting Point
>300 °C
Flash Point
Not applicable
Purity
96%
Appearance
Yellow solid
Complexity
343
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
266.05790880g/mol
Formal Charge
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
MDL Number
MDLnumberMFCD00229428
Monoisotopic Mass
266.05790880g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.4
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