Home Nitriles 3-Isoxazolepropanenitrile, 5-methyl-β-oxo-

3-Isoxazolepropanenitrile, 5-methyl-β-oxo-

CAS No.:
130371-64-1
Catalog Number:
AG000UC6
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
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Product Description
Catalog Number:
AG000UC6
Chemical Name:
3-Isoxazolepropanenitrile, 5-methyl-β-oxo-
CAS Number:
130371-64-1
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
MDL Number:
MFCD00208086
IUPAC Name:
3-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H6N2O2/c1-5-4-6(9-11-5)7(10)2-3-8/h4H,2H2,1H3
InChI Key:
NVLHXSSBZDYPCB-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)C(=O)CC#N
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties