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1,10-Phenanthroline-5-carboxylic acid

Catalog Number
ACM630067060-1
CAS Number
630067-06-0
Product Name
1,10-Phenanthroline-5-carboxylic acid
Structure
Category
Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
Synonyms
5-Carboxy-1,10-phenanthroline
IUPAC Name
1,10-phenanthroline-5-carboxylic acid
Molecular Weight
224.21
Molecular Formula
C13H8N2O2
InChI
UCJSMIWAXWPDOJ-UHFFFAOYSA-N
InChI Key
InChI=1S/C13H8N2O2/c16-13(17)10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H,(H,16,17)
Boiling Point
467.2 °C at 760 mmHg
Melting Point
335-337 °C
Purity
97%
Density
1.431
Complexity
308
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
224.058577502g/mol
Formal Charge
0
Heavy Atom Count
17
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isomeric SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)C(=O)O
Isotope Atom Count
0
Monoisotopic Mass
224.058577502g/mol
Rotatable Bond Count
1
Topological Polar Surface Area
63.1Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
2
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