AG00BJB3

2166-14-5 | DIMETHYL 1,2,4,5-TETRAZINE-3,6-DICARBOXYLATE

AG00BJB3

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CAS Number	2166-14-5
Catalog Number	AG00BJB3(AGN-PC-0JOLR3)
Chemical Name	DIMETHYL 1,2,4,5-TETRAZINE-3,6-DICARBOXYLATE
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
MDL Number	MFCD00837735
Molecular Formula	C6H6N4O4
Molecular Weight	198.1362
NSC Number	174664
SMILES	O=C(C1=NN=C(C(OC)=O)N=N1)OC
Synonyms	dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate, 2166-14-5, 3,6-dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate, 1,2,4,5-Tetrazine-3,6-dicarboxylic acid dimethyl ester, NSC174664, AC1L6W1F, SCHEMBL1220607, CTK4E7441, DTXSID80306219, QODPSGGFQFBWME-UHFFFAOYSA-N, ZINC1711580, AKOS022182131, CD-1261, NSC-174664, 3,6-dicarbomethoxy-1,2,4,5-tetrazine, AJ-30769, 3,6-bis(methoxycarbonyl)-1,2,4,5-tetrazine, Z2724070972, 1,2,4,5-Tetrazine-3,6-dicarboxylicacid, 3,6-dimethyl ester, CID300308,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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