AG00IA9W

57699-27-1 | Methyl 2-(4-nitrophenyl)-2-oxoacetate

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CAS Number	57699-27-1
Catalog Number	AG00IA9W(AGN-PC-0NGIFE)
Chemical Name	Methyl 2-(4-nitrophenyl)-2-oxoacetate
IUPAC Name	methyl 2-(4-nitrophenyl)-2-oxoacetate
InChI	InChI=1S/C9H7NO5/c1-15-9(12)8(11)6-2-4-7(5-3-6)10(13)14/h2-5H,1H3
InChI Key	KCJNETLTNKSVGA-UHFFFAOYSA-N
MDL Number	MFCD26913036
Molecular Formula	C9H7NO5
Molecular Weight	209.1556
SMILES	O=C(OC)C(C1=CC=C([N+]([O-])=O)C=C1)=O
Synonyms	methyl 2-(4-nitrophenyl)-2-oxoacetate, 57699-27-1, SCHEMBL2122981, MFCD26913036, ZINC38293348, 4-Nitrophenyloxoacetic acid methyl ester, AJ-94959, AS-44611, BBV-50505953, AX8290292, CID11138328, Methyl 2-(4-nitrophenyl)-2-oxo-acetate,

Complexity	275
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.032g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.157g/mol
Monoisotopic Mass	209.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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