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31909-58-7,MFCD00166991
Catalog No.:AA003H9W
31909-58-7 | 3-(Furan-2-yl)-3-oxopropanenitrile
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1g
98%
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$15.00
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5g
98%
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$45.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003H9W
Chemical Name:
3-(Furan-2-yl)-3-oxopropanenitrile
CAS Number:
31909-58-7
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD00166991
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
Computed 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  

Synonyms
 
2-Furoylacetonitrile 
31909-58-7 
ACMC-1COCK 
AC1L3JKW 
2-(2-furanoyl)acetonitrile 
2-Furoylacetonitrile, 97% 
2-Furoylacetonitrile, 99% 
SCHEMBL135923 
beta-oxo-2-furanepropanenitrile 
CTK1C5140 
KS-00002BJO 
RZNSHBXVTAHWPP-UHFFFAOYSA- 
3-(furan-2-yl)-3-oxopropanenitrile 
DTXSID90185759 
3-furan-2-yl-3-oxopropanenitrile 
HMS1750E20 
ZINC157314 
3-Furan-2-yl-3-oxo-propionitrile 
ACT07858 
STR07414 
3-(Fur-2-yl)-3-oxopropanenitrile 
5051AH 
CF-870 
3-(2-furyl)-3-oxopropanenitrile 
SBB085884 
AKOS000206984 
CS-W013361 
MCULE-3985729548 
TRA0100307 
SC-11683 
ZB006638 
AB0048547 
RT-001280 
A5750 
RZNSHBXVTAHWPP-UHFFFAOYSA-N 
FT-0604166 
ST51021256 
TL80073492 
L-5322 
J-018568 
I14-12750 
I14-48934 
Z96092816 
F2135-1131 
InChI=1/C7H5NO2/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2 
MFCD00052210 
C7H5NO2 
CID141671 
ZINC00157314 
2-cyanoacetylfuran 
2-furanoylacetonitrile 
2-furoyl acetonitrile 
PubChem11959 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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