AG00FFHA

66073-33-4 | Ethyl 4-(2-nitrophenyl)-3-oxobutanoate

AG00FFHA

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CAS Number	66073-33-4
Catalog Number	AG00FFHA(AGN-PC-0TJAUQ)
Chemical Name	Ethyl 4-(2-nitrophenyl)-3-oxobutanoate
IUPAC Name	ethyl 4-(2-nitrophenyl)-3-oxobutanoate
InChI	InChI=1S/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3
InChI Key	NEVSSHAHYYYAKX-UHFFFAOYSA-N
MDL Number	MFCD01926658
Molecular Formula	C12H13NO5
Molecular Weight	251.2353
SMILES	O=C(OCC)CC(CC1=CC=CC=C1[N+]([O-])=O)=O
Synonyms	Ethyl 4-(2-nitrophenyl)-3-oxobutanoate, 66073-33-4, ETHYL 4-(2-NITROPHENYL)ACETOACETATE, 4-(2-nitrophenyl)-3-oxo-butyric acid ethyl ester, 4-(2-Nitro-phenyl)-3-oxo-butyric acid ethyl ester, AK140438, EC-000.1712, Oprea1_169822, SCHEMBL730608, CTK5C3467, DTXSID10446157, NEVSSHAHYYYAKX-UHFFFAOYSA-N, KS-00000G6R, ZINC2387714, ethyl-gamma-2-nitrophenylacetoacetate, MFCD01926658, AKOS015964983, DS-7048, AJ-35481, AM805551, SC-58534, AX8128729, ST2406939, 4CH-003642, CS-0038009, Ethyl 4 - (2 - nitrophenyl) - 3 - oxobutanoate, benzenebutanoic acid, 2-nitro-beta-oxo-, ethyl ester, ETHYL4- ACETOACETATE, ACN-048629, CID10857922, Ethyl 4-(2-nitrophenyl)-3-oxo-butanoate,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.238g/mol
Monoisotopic Mass	251.079g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	89.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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