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Home > Nitro Compounds > 886496-55-5
886496-55-5 | ethyl (E)-3-[5-(2-methyl-4-nitrophenyl)-2-furyl]-2-propenoate
CAS No: 886496-55-5 Catalog No: AG00JGW1 MDL No:MFCD06739678
Product Description
Catalog Number:
AG00JGW1
Chemical Name:
ethyl (E)-3-[5-(2-methyl-4-nitrophenyl)-2-furyl]-2-propenoate
CAS Number:
886496-55-5
Molecular Formula:
C16H15NO5
Molecular Weight:
301.2940
MDL Number:
MFCD06739678
IUPAC Name:
ethyl (E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enoate
InChI:
InChI=1S/C16H15NO5/c1-3-21-16(18)9-6-13-5-8-15(22-13)14-7-4-12(17(19)20)10-11(14)2/h4-10H,3H2,1-2H3/b9-6+
InChI Key:
BDJANNYFODFNPN-RMKNXTFCSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(o1)c1ccc(cc1C)[N+](=O)[O-]
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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