AG00FHO5

68719-87-9 | Dimethyl 2-(5-nitropyridin-2-yl)malonate

AG00FHO5

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CAS Number	68719-87-9
Catalog Number	AG00FHO5(AGN-PC-0KKQB4)
Chemical Name	Dimethyl 2-(5-nitropyridin-2-yl)malonate
IUPAC Name	dimethyl 2-(5-nitropyridin-2-yl)propanedioate
InChI	InChI=1S/C10H10N2O6/c1-17-9(13)8(10(14)18-2)7-4-3-6(5-11-7)12(15)16/h3-5,8H,1-2H3
InChI Key	VTEVSGUDKFSYGJ-UHFFFAOYSA-N
MDL Number	MFCD03425824
Molecular Formula	C10H10N2O6
Molecular Weight	254.1962
SMILES	O=C(OC)C(C1=NC=C([N+]([O-])=O)C=C1)C(OC)=O
Synonyms	Dimethyl 2-(5-nitropyridin-2-yl)malonate, 68719-87-9, dimethyl 2-(5-nitro-2-pyridinyl)malonate, 1,3-dimethyl 2-(5-nitropyridin-2-yl)propanedioate, dimethyl 2-(5-nitropyridin-2-yl)propanedioate, AC1MC9YX, dimethylnitropyridinylmalonate, SCHEMBL1403468, CTK6I7303, VTEVSGUDKFSYGJ-UHFFFAOYSA-N, ZINC153469, KS-000021OT, MFCD03425824, SBB101381, AKOS005071248, RP14425, dimethyl2-(5-nitropyridin-2-yl)malonate, AJ-13000, AK-69804, DA-04278, SC-34481, TR-064080, CS-0089818, FT-0699473, C-4280, 9T-0002, dimethyl 2-(5-nitro-2-pyridyl)propane-1,3-dioate, ZINC00153469, CID2764544,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.054g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.198g/mol
Monoisotopic Mass	254.054g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	111A^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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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