AG0034VG

838-57-3 | Ethyl 4-nitrobenzoylacetate

AG0034VG

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CAS Number	838-57-3
Catalog Number	AG0034VG(AGN-PC-0UPLX8)
Chemical Name	Ethyl 4-nitrobenzoylacetate
EC Number	212-656-7
IUPAC Name	ethyl 3-(4-nitrophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3
InChI Key	NGRXSVFCLHVGKU-UHFFFAOYSA-N
MDL Number	MFCD00007357
Molecular Formula	C11H11NO5
Molecular Weight	237.2087
NSC Number	62134
SMILES	[N+](=O)([O-])C1=CC=C(C(=O)CC(=O)OCC)C=C1
Synonyms	Ethyl 4-nitrobenzoylacetate, 838-57-3, ethyl 3-(4-nitrophenyl)-3-oxopropanoate, Ethyl (p-nitrobenzoyl)acetate, Ethyl (4-nitrobenzoyl)acetate, 4-Nitrobenzoylacetic Acid Ethyl Ester, (p-Nitrobenzoyl)acetic acid ethyl ester, ETHYL p-NITROBENZOYLACETATE, Ethyl 4-nitro-beta-oxobenzenepropanoate, (4-Nitrobenzoyl)acetic acid ethyl ester, Benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester, EINECS 212-656-7, MFCD00007357, NSC 62134, BRN 1124763, ethyl 3-oxo-3-(4-nitrophenyl)propanoate, Ethyl 4-nitrobenzoylacetate 98%, NGRXSVFCLHVGKU-UHFFFAOYSA-N, ACETIC ACID, (p-NITROBENZOYL)-, ETHYL ESTER, Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester, 3-(4-nitrophenyl)-3-oxopropionic acid ethyl ester, PubChem2691, ACMC-209pth, Maybridge1_002011, ethyl-4-Nitrobenzoylacetate, Oprea1_250969, 4-10-00-02759 (Beilstein Handbook Reference), SCHEMBL276340, AC1L21F3, AC1Q34N7, DTXSID9061201, CTK5F1323, ETHYL4-NITROBENZOYLACETATE, HMS547D09, KS-00000WCQ, ZINC133329, ALBB-010189, NSC62134, ANW-37731, NSC-62134, SBB051361, STK325361, AKOS000119352, MCULE-1479804812, VZ32150, AC-17238, AJ-12183, AS-19945, Ethyl 3-(4-Nitrophenyl)-3-oxopropionate, LS-12595, SC-89118, ZB004677, ethyl 3-(4-nitrophenyl)-3-oxo-propanoate, DB-056753, TR-026024, CS-0022845, FT-0626099, N0513, R1171, ST24046926, ST50308266, Z1970, 4-Nitro-b-oxo-benzenepropanoic acid ethyl ester, 4-Nitro-beta-oxo-benzenepropanoic acid ethyl ester, A840669, Benzenepropanoic acid,4-nitro-b-oxo-, ethyl ester, 3-(4-nitrophenyl)-3-oxopropanoic acid ethyl ester, 3-Oxo-3-(p-nitrophenyl)propionic acid, ethyl ester, ethyl 3-(4-nitrophenyl)-3-oxidanylidene-propanoate, I01-5518, F0787-0006, Acetic acid, ethyl ester, C11H11NO5, Benzenepropanoic acid, ethyl ester, CID13281, C11-H11-N-O5, ACN-050335,

Complexity	302
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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