AG00I9BN

52119-38-7 | ETHYL 3-(3-NITROPHENYL)-3-OXOPROPANOATE

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CAS Number	52119-38-7
Catalog Number	AG00I9BN(AGN-PC-0JLE4A)
Chemical Name	ETHYL 3-(3-NITROPHENYL)-3-OXOPROPANOATE
EC Number	257-670-4
IUPAC Name	ethyl 3-(3-nitrophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-4-3-5-9(6-8)12(15)16/h3-6H,2,7H2,1H3
InChI Key	DSOJMGUVLXTQSE-UHFFFAOYSA-N
MDL Number	MFCD00126483
Molecular Formula	C11H11NO5
Molecular Weight	237.2087
SMILES	O=C(OCC)CC(C1=CC=CC([N+]([O-])=O)=C1)=O
Synonyms	ethyl 3-(3-nitrophenyl)-3-oxopropanoate, 52119-38-7, Ethyl 3-nitrobenzoylacetate, Ethyl 3-(m-nitrophenyl)-3-oxopropionate, AK-35462, EINECS 257-670-4, Maybridge1_001967, AC1L2W2O, AC1Q34NF, Oprea1_534287, AC1Q34N5, benzenepropanoic acid, 3-nitro-beta-oxo-, ethyl ester, SCHEMBL1110091, CTK4J5441, HMS547B09, DTXSID00200129, DSOJMGUVLXTQSE-UHFFFAOYSA-N, Ethyl 3-nitrobenzoylacetate, 97%, ZINC133327, ALBB-014895, KS-00000G6E, ZX-AN013604, ZX-AT023560, ANW-47167, CCG-55773, MFCD00126483, 3-Nitrobenzoylacetic acid ethyl ester, AKOS005174562, m-nitrobenzoyl acetic acid ethyl ester, AC-7786, AN-8664, ethyl 3-nitro-beta-oxobenzenepropanoate, MCULE-4283186272, RP05751, TRA0056193, AJ-12182, BR-35462, EN002209, ethyl 3-(3-nitrophenyl)-3-oxopropionate, O089, SC-59752, ZB004676, ethyl 3-(3-nitrophenyl)-3-oxo-propanoate, AB0016245, AX8128453, BC4157683, ST2406911, TC-135912, FT-0625985, ST50319656, S-1750, Benzenepropanoic acid,3-nitro-b-oxo-, ethyl ester, I01-8115, J-520799, SR-01000644780-1, I01-22828, C11H11NO5, ETHYL3- -3-OXOPROPANOATE, AR-1I8614, C11-H11-N-O5, CID104078, ZINC00133327, 5796-31-6,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.064g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	237.211g/mol
Monoisotopic Mass	237.064g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	89.2A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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