Home Carboxys dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate

CAS No.:
2166-14-5
Catalog Number:
AG00BJB3
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
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Product Description
Catalog Number:
AG00BJB3
Chemical Name:
dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
CAS Number:
2166-14-5
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
MDL Number:
MFCD00837735
IUPAC Name:
dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate
InChI:
InChI=1S/C6H6N4O4/c1-13-5(11)3-7-9-4(10-8-3)6(12)14-2/h1-2H3
InChI Key:
QODPSGGFQFBWME-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnc(nn1)C(=O)OC
NSC Number:
174664
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.039g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.138g/mol
Monoisotopic Mass:
198.039g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Modular strategy for the construction of radiometalated antibodies for positron emission tomography based on inverse electron demand Diels-Alder click chemistry. Bioconjugate chemistry 20111019
Enhancement of the click chemistry for the inverse Diels Alder technology by functionalization of amide-based monomers. International journal of medical sciences 20110101
Extension of the PNA world by functionalized PNA monomers eligible candidates for inverse Diels Alder Click Chemistry. International journal of medical sciences 20100101
Characterisation of new pyridazinofurocoumarins by electron ionisation and multiple stage tandem mass spectrometry using an ion trap mass spectrometer. Rapid communications in mass spectrometry : RCM 20040101
Synthesis and chemistry of unusual bicyclic endoperoxides containing the pyridazine ring. The Journal of organic chemistry 20030905
Asymmetric total synthesis of ent-(-)-roseophilin: assignment of absolute configuration. Journal of the American Chemical Society 20010905
Properties