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Home > Nitro Compounds > 57961-49-6
57961-49-6 | ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
CAS No: 57961-49-6 Catalog No: AG00IQCJ MDL No:MFCD03848618
Product Description
Catalog Number:
AG00IQCJ
Chemical Name:
ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
CAS Number:
57961-49-6
Molecular Formula:
C12H11NO6
Molecular Weight:
265.2188
MDL Number:
MFCD03848618
IUPAC Name:
ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate
InChI:
InChI=1S/C12H11NO6/c1-2-19-12(16)11(15)7-10(14)8-4-3-5-9(6-8)13(17)18/h3-6H,2,7H2,1H3
InChI Key:
TXUPDOSNKUMFAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.221g/mol
Monoisotopic Mass:
265.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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