CAS 57266-70-3 3,6-Pyridazinedicarboxylic Acid

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3,6-Pyridazinedicarboxylic Acid

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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

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

168.01710661g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

168.01710661g/mol

NSC Number

174675

Rotatable Bond Count

Safety Description

26-36/37/39

Topological Polar Surface Area

100Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

-0.4

MSDS

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COA

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Spec Sheet

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