AG00I7S7

39562-22-6 | Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 2-methoxyethylester

AG00I7S7

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CAS Number	39562-22-6
Catalog Number	AG00I7S7(AGN-PC-0RK2ZF)
Chemical Name	Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 2-methoxyethylester
EC Number	254-511-0
IUPAC Name	2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
InChI	InChI=1S/C14H15NO6/c1-10(16)13(14(17)21-7-6-20-2)9-11-4-3-5-12(8-11)15(18)19/h3-5,8-9H,6-7H2,1-2H3/b13-9+
InChI Key	UVZJPCAZMGLNTB-UKTHLTGXSA-N
MDL Number	MFCD00521048
Molecular Formula	C14H15NO6
Molecular Weight	293.2720
SMILES	CC(/C(C(OCCOC)=O)=CC1=CC=CC([N+]([O-])=O)=C1)=O
Synonyms	39562-22-6, 2-Methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate, 2-methoxyethyl (2E)-2-acetyl-3-(3-nitrophenyl)acrylate, 2-methoxyethyl 2-[(3-nitrophenyl)methylene]acetoacetate, 2-METHOXYETHYL 2-(3-NITROBENZYLIDENE)ACETOACETATE, 2-Methoxyethyl 2-((3-nitrophenyl)methylene)acetoacetate, 2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate, (E)-2-methoxyethyl 2-(3-nitrobenzylidene)-3-oxobutanoate, EINECS 254-511-0, AC1M14GI, ALBB-015316, BCP21153, ZINC4529642, ZX-AN014024, MFCD00521048, AKOS005174927, AN-6998, ACM39562226, AJ-51557, AX8020622, R3352, ST24040790, A18729, 562M226, SR-01000026425, I01-1965, SR-01000026425-1, 2-methoxyethyl (E)-2-(3-nitrobenzylidene)-3-oxobutanoate, 2-METHOXYETHYL 2-ACETYL-3-(3-NITROPHENYL)ACRYLATE, 2-Acetyl-3-(3-nitrophenyl)acrylic acid 2-methoxyethyl ester, 2-methoxyethyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate, Butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 2-methoxyethylester, Butenoic acid, 2-((3-nitrophenyl)methylene)-3-oxo-, 2-methoxyethyl ester, butanoic acid, 2-[(3-nitrophenyl)methylene]-3-oxo-, 2-methoxyethyl ester, (2E)-, 2-Methoxyethyl 2-[(3-nitrophenyl)methylene]acetoacetate;(E)-2-methoxyethyl 5-(3-nitrophenyl)-3-oxopent-4-enoate, Methoxyethyl 3-nitrobenzylidenacetoacetate, C14H15NO6, C14-H15-N-O6, ZINC02566554, ACN-040807, CID2063485, 2-Methoxyethyl2-[methylene]acetoacetate, 2-Methoxyethyl2-[ methylene]acetoacetate, 2-Methoxyethyl 2-(3-Nitrobenzylidene) Acetoacetate, 2-Methoxyethyl 2-(3-Nitrobenzylidene)-3-oxobutyrate, Butanoic acid, 2-((3-nitrophenyl)methylene)-3-oxo-, 2-methoxyethyl ester,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	293.09g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.275g/mol
Monoisotopic Mass	293.09g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	98.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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