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Home > Nitro Compounds > 77869-23-9
77869-23-9 | (2E)-3-(5-methylfuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 77869-23-9 Catalog No: AG00JU1R MDL No:MFCD00489743
Product Description
Catalog Number:
AG00JU1R
Chemical Name:
(2E)-3-(5-methylfuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
77869-23-9
Molecular Formula:
C14H11NO4
Molecular Weight:
257.2414
MDL Number:
MFCD00489743
IUPAC Name:
(E)-3-(5-methylfuran-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H11NO4/c1-10-2-7-13(19-10)8-9-14(16)11-3-5-12(6-4-11)15(17)18/h2-9H,1H3/b9-8+
InChI Key:
CTSHCGPEGPIFMN-CMDGGOBGSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(o1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
257.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.245g/mol
Monoisotopic Mass:
257.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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