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Home > Nitro Compounds > 113709-52-7
113709-52-7 | Methyl (2E)-4-(4-Nitrophenyl)-4-oxobut-2-enoate
CAS No: 113709-52-7 Catalog No: AG01F9PR MDL No:
Product Description
Catalog Number:
AG01F9PR
Chemical Name:
Methyl (2E)-4-(4-Nitrophenyl)-4-oxobut-2-enoate
CAS Number:
113709-52-7
Molecular Formula:
C11H9NO5
Molecular Weight:
235.1929
IUPAC Name:
methyl (E)-4-(4-nitrophenyl)-4-oxobut-2-enoate
InChI:
InChI=1S/C11H9NO5/c1-17-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3/b7-6+
InChI Key:
WTXPAVBQCZLDIE-VOTSOKGWSA-N
SMILES:
COC(=O)/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
235.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.195g/mol
Monoisotopic Mass:
235.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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