AG00DKYR

54973-78-3 | Methyl 6-nitronicotinate

AG00DKYR

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CAS Number	54973-78-3
Catalog Number	AG00DKYR(AGN-PC-041ATL)
Chemical Name	Methyl 6-nitronicotinate
IUPAC Name	methyl 6-nitropyridine-3-carboxylate
InChI	InChI=1S/C7H6N2O4/c1-13-7(10)5-2-3-6(8-4-5)9(11)12/h2-4H,1H3
InChI Key	PHIAHISRDZCZKN-UHFFFAOYSA-N
MDL Number	MFCD00091124
Molecular Formula	C7H6N2O4
Molecular Weight	182.1335
SMILES	O=C(OC)C1=CN=C([N+]([O-])=O)C=C1
Synonyms	Methyl 6-nitronicotinate, 54973-78-3, 6-nitro-nicotinic acid methyl ester, MFCD00091124, ZINC98086068, AKOS024262305, FCH2409894, AK157941, AS-30959, AJ-138523, AX8277388, ST2407301, METHYL 6-NITROPYRIDINE-3-CARBOXYLATE,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.033g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.135g/mol
Monoisotopic Mass	182.033g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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