CAS 49546-06-7 4,4'-(1,3,6,8-Tetraoxobenzo[Lmn][3,8]Phenanthroline-2,7(1H,3H,6H,8H)-Diyl)Dibenzoic Acid

NAVIGATION

4,4'-(1,3,6,8-Tetraoxobenzo[Lmn][3,8]Phenanthroline-2,7(1H,3H,6H,8H)-Diyl)Dibenzoic Acid

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Catalog Number

ACM49546067

CAS Number

49546-06-7

Product Name

4,4'-(1,3,6,8-Tetraoxobenzo[Lmn][3,8]Phenanthroline-2,7(1H,3H,6H,8H)-Diyl)Dibenzoic Acid

Category

Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand

IUPAC Name

4-[13-(4-carboxyphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]benzoic acid

Molecular Weight

506.4g/mol

Molecular Formula

C28H14N2O8

InChI

InChI=1S/C28H14N2O8/c31-23-17-9-11-19-22-20(26(34)30(25(19)33)16-7-3-14(4-8-16)28(37)38)12-10-18(21(17)22)24(32)29(23)15-5-1-13(2-6-15)27(35)36/h1-12H,(H,35,36)(H,37,38)

InChI Key

YNACRJFIOLJWEO-UHFFFAOYSA-N

Complexity

941

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

506.07501541g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

506.07501541g/mol

Rotatable Bond Count

Topological Polar Surface Area

149Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

3.3

MSDS

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COA

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Spec Sheet

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