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31909-58-7 | 3-(Furan-2-yl)-3-oxopropanenitrile
CAS No: 31909-58-7 Catalog No: AG003HCO MDL No:MFCD00052210
Product Description
Catalog Number:
AG003HCO
Chemical Name:
3-(Furan-2-yl)-3-oxopropanenitrile
CAS Number:
31909-58-7
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00052210
IUPAC Name:
3-(furan-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
InChI Key:
RZNSHBXVTAHWPP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccco1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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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