Home Other Building Blocks 3,5-Dimethylisoxazol-4-yl isocyanate

3,5-Dimethylisoxazol-4-yl isocyanate

CAS No.:
131825-41-7
Catalog Number:
AG000ZSU
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
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Purity
Availability
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Quantity
  
1g
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United States
$491
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Product Description
Catalog Number:
AG000ZSU
Chemical Name:
3,5-Dimethylisoxazol-4-yl isocyanate
CAS Number:
131825-41-7
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00119910
IUPAC Name:
4-isocyanato-3,5-dimethyl-1,2-oxazole
InChI:
InChI=1S/C6H6N2O2/c1-4-6(7-3-9)5(2)10-8-4/h1-2H3
InChI Key:
JJQYAGYVYNMYGE-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)noc1C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties