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5396-71-4 | Ethyl 3-(3-nitrophenyl);acrylate
CAS No: 5396-71-4 Catalog No: AG003Q8B MDL No:MFCD00017027
Product Description
Catalog Number:
AG003Q8B
Chemical Name:
Ethyl 3-(3-nitrophenyl);acrylate
CAS Number:
5396-71-4
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00017027
IUPAC Name:
ethyl (E)-3-(3-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C11H11NO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8H,2H2,1H3/b7-6+
InChI Key:
QZEPRSLOWNHADS-VOTSOKGWSA-N
SMILES:
CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
EC Number:
226-415-9
NSC Number:
4346
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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