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1,10-Phenanthroline-2,9-dicarboxylic acid

Catalog Number
ACM57709612-2
CAS Number
57709-61-2
Product Name
1,10-Phenanthroline-2,9-dicarboxylic acid
Structure
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
Synonyms
2,9-Dicarboxy-1,10-Phenanthroline; H2phenda; H2PDA
IUPAC Name
1,10-phenanthroline-2,9-dicarboxylic acid
Molecular Weight
268.22
Molecular Formula
C14H8N2O4
InChI
FXSVCROWUPWXBP-UHFFFAOYSA-N
InChI Key
InChI=1S/C14H8N2O4/c17-13(18)9-5-3-7-1-2-8-4-6-10(14(19)20)16-12(8)11(7)15-9/h1-6H,(H,17,18)(H,19,20)
Boiling Point
563.1±45.0 °C(Predicted)
Melting Point
239 °C
Purity
97%
Appearance
Light yellow powder
Complexity
376
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
268.04840674g/mol
Formal Charge
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isomeric SMILES
C1=CC2=C(C3=C1C=CC(=N3)C(=O)O)N=C(C=C2)C(=O)O
Isotope Atom Count
0
MeSH Entry Terms
1,10-phenanthroline-2,9-dicarboxylic acid
Monoisotopic Mass
268.04840674g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2.2
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