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1121-47-7 | 2-Furancarboxaldehyde,oxime
CAS No: 1121-47-7 Catalog No: AG007C5I MDL No:MFCD00014114
Product Description
Catalog Number:
AG007C5I
Chemical Name:
2-Furancarboxaldehyde,oxime
CAS Number:
1121-47-7
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
MDL Number:
MFCD00014114
IUPAC Name:
(NE)-N-(furan-2-ylmethylidene)hydroxylamine
InChI:
InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChI Key:
UYTMLDBQFLIQJA-GQCTYLIASA-N
SMILES:
ON=Cc1ccco1
Properties
Complexity:
92.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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