AG001VEK

16082-13-6 | Diethyl pyridazine-3,4-dicarboxylate

AG001VEK

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CAS Number	16082-13-6
Catalog Number	AG001VEK(AGN-PC-001XA2)
Chemical Name	Diethyl pyridazine-3,4-dicarboxylate
IUPAC Name	diethyl pyridazine-3,4-dicarboxylate
InChI	InChI=1S/C10H12N2O4/c1-3-15-9(13)7-5-6-11-12-8(7)10(14)16-4-2/h5-6H,3-4H2,1-2H3
InChI Key	OKTDNBVRYCDLQR-UHFFFAOYSA-N
MDL Number	MFCD11506290
Molecular Formula	C10H12N2O4
Molecular Weight	224.2133
SMILES	O=C(C1=NN=CC=C1C(OCC)=O)OCC
Synonyms	Diethyl pyridazine-3,4-dicarboxylate, 16082-13-6, Pyridazine-3,4-dicarboxylic acid diethyl ester, AK158501, 3,4-Pyridazinedicarboxylic acid, 3,4-diethyl ester, SCHEMBL5767934, KS-00000SGT, OKTDNBVRYCDLQR-UHFFFAOYSA-N, 3986AJ, MFCD11506290, ZINC34327904, AKOS024262514, DS-9362, AJ-87983, AX8292271, DB-064372, FT-0769515, ST24046565, EN300-152947, InChI=1/C10H12N2O4/c1-3-15-9(13)7-5-6-11-12-8(7)10(14)16-4-2/h5-6H,3-4H2,1-2H, C10H12N2O4,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.216g/mol
Monoisotopic Mass	224.08g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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