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Home > Nitro Compounds > 676546-91-1
676546-91-1 | (4,5-Dimethoxy-2-nitro-phenyl)-(5-methyl-furan-2-yl)-methanone
CAS No: 676546-91-1 Catalog No: AG01EWVO MDL No:
Product Description
Catalog Number:
AG01EWVO
Chemical Name:
(4,5-Dimethoxy-2-nitro-phenyl)-(5-methyl-furan-2-yl)-methanone
CAS Number:
676546-91-1
Molecular Formula:
C14H13NO6
Molecular Weight:
291.2561
IUPAC Name:
(4,5-dimethoxy-2-nitrophenyl)-(5-methylfuran-2-yl)methanone
InChI:
InChI=1S/C14H13NO6/c1-8-4-5-11(21-8)14(16)9-6-12(19-2)13(20-3)7-10(9)15(17)18/h4-7H,1-3H3
InChI Key:
YYWPKLNAXJESKU-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)c2ccc(o2)C)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.259g/mol
Monoisotopic Mass:
291.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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