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Home > Nitro Compounds > 88484-93-9
88484-93-9 | Ethanone, 1-[4-(4,5-dimethoxy-2-nitrophenyl)-2,5-dimethyl-3-furanyl]-
CAS No: 88484-93-9 Catalog No: AG0049HT MDL No:
Product Description
Catalog Number:
AG0049HT
Chemical Name:
Ethanone, 1-[4-(4,5-dimethoxy-2-nitrophenyl)-2,5-dimethyl-3-furanyl]-
CAS Number:
88484-93-9
Molecular Formula:
C16H17NO6
Molecular Weight:
319.3093
IUPAC Name:
1-[4-(4,5-dimethoxy-2-nitrophenyl)-2,5-dimethylfuran-3-yl]ethanone
InChI:
InChI=1S/C16H17NO6/c1-8(18)15-9(2)23-10(3)16(15)11-6-13(21-4)14(22-5)7-12(11)17(19)20/h6-7H,1-5H3
InChI Key:
CJKIHKXALRXVLM-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)[N+](=O)[O-])c1c(C)oc(c1C(=O)C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.313g/mol
Monoisotopic Mass:
319.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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