NAVIGATION


3,6-Pyridazinedicarboxylic Acid

Catalog Number
ACM57266703
CAS Number
57266-70-3
Product Name
3,6-Pyridazinedicarboxylic Acid
Structure
Category
Customizable MOF Linkers
Synonyms
3,6-PYRIDAZINEDICARBOXYLIC ACID
IUPAC Name
pyridazine-3,6-dicarboxylic acid
Molecular Weight
168.11
Molecular Formula
C6H4N2O4
Canonical SMILES
C1=CC(=NN=C1C(=O)O)C(=O)O
InChI
InChI=1S/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)
InChI Key
FJPJFQGISLJONZ-UHFFFAOYSA-N
Boiling Point
559.7ºC at 760 mmHg
Flash Point
292.3ºC
Purity
98%
Density
1.665 g/cm³
Complexity
184
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
168.01710661g/mol
Formal Charge
0
Heavy Atom Count
12
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
168.01710661g/mol
NSC Number
174675
Rotatable Bond Count
2
Safety Description
26-36/37/39
Topological Polar Surface Area
100Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
-0.4
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