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Home > Nitro Compounds > 17817-38-8
17817-38-8 | 3(2H)-Benzofuranone, 6-hydroxy-2-[(5-nitro-2-furanyl)methylene]-
CAS No: 17817-38-8 Catalog No: AG0025TH MDL No:
Product Description
Catalog Number:
AG0025TH
Chemical Name:
3(2H)-Benzofuranone, 6-hydroxy-2-[(5-nitro-2-furanyl)methylene]-
CAS Number:
17817-38-8
Molecular Formula:
C13H7NO6
Molecular Weight:
273.1978
IUPAC Name:
6-hydroxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one
InChI:
InChI=1S/C13H7NO6/c15-7-1-3-9-10(5-7)20-11(13(9)16)6-8-2-4-12(19-8)14(17)18/h1-6,15H
InChI Key:
FVOJXUXJPGCVMX-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OC(=Cc1ccc(o1)[N+](=O)[O-])C2=O
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.2g/mol
Monoisotopic Mass:
273.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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