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Home > Nitro Compounds > 1349716-78-4
1349716-78-4 | 3-(5-Nitrofuran-2-yl)benzyl alcohol
CAS No: 1349716-78-4 Catalog No: AG01FDVR MDL No:
Product Description
Catalog Number:
AG01FDVR
Chemical Name:
3-(5-Nitrofuran-2-yl)benzyl alcohol
CAS Number:
1349716-78-4
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
IUPAC Name:
[3-(5-nitrofuran-2-yl)phenyl]methanol
InChI:
InChI=1S/C11H9NO4/c13-7-8-2-1-3-9(6-8)10-4-5-11(16-10)12(14)15/h1-6,13H,7H2
InChI Key:
KZQYPSASJWRENB-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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