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Home > Nitro Compounds > 886496-52-2
886496-52-2 | 3-[5-(2-Methyl-5-nitro-phenyl)-furan-2-yl]-acrylic acid ethyl ester
CAS No: 886496-52-2 Catalog No: AG016K2J MDL No:
Product Description
Catalog Number:
AG016K2J
Chemical Name:
3-[5-(2-Methyl-5-nitro-phenyl)-furan-2-yl]-acrylic acid ethyl ester
CAS Number:
886496-52-2
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
IUPAC Name:
ethyl (E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enoate
InChI:
InChI=1S/C16H15NO5/c1-3-21-16(18)9-7-13-6-8-15(22-13)14-10-12(17(19)20)5-4-11(14)2/h4-10H,3H2,1-2H3/b9-7+
InChI Key:
JYVKYNLSKCUEOT-VQHVLOKHSA-N
SMILES:
[O-][N+](=O)c1cc(c2ccc(o2)/C=C/C(=O)OCC)c(cc1)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
301.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.298g/mol
Monoisotopic Mass:
301.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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