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Structure

3,6-Pyridazinedicarboxylic Acid

CAS
57266-70-3
Catalog Number
ACM57266703
Category
Other Products
Molecular Weight
168.11
Molecular Formula
C6H4N2O4

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Specification

Synonyms
3,6-PYRIDAZINEDICARBOXYLIC ACID
IUPAC Name
pyridazine-3,6-dicarboxylic acid
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
Density
1.665 g/cm³
Complexity
184
CompoundIs 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
H-Bond Acceptor
6
H-Bond Donor
2
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
June 16, 2023


Improve experimental efficiency
The purity, specification and composition of 3,6-pyridazinedicarboxylic acid are very accurate, which speeds up my experiment.

Upstream Synthesis Route 1

  • 113631-49-5
  • 57266-70-3

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]

Downstream Synthesis Route 1

  • 67-56-1
  • 57266-70-3
  • 2166-24-7

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]
[2]Current Patent Assignee: YUMANITY THERAPEUTICS INC - WO2019/183587, 2019, A1
Location in patent: Page/Page column 224
[3]Current Patent Assignee: YUMANITY THERAPEUTICS INC; EUMANNICH TREAT - WO2020/198026, 2020, A1
Location in patent: Page/Page column 231

Downstream Synthesis Route 2

  • 64-17-5
  • 57266-70-3
  • 113631-50-8

Reference: [1]Sueur, Stephane; Lagrenee, Michel; Abraham, Francis; Bremard, Claude
[Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 1285 - 1289]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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