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84654-34-2 | 3-Isoxazolecarbonitrile,5-[(methylthio)methyl]-(9CI)
CAS No: 84654-34-2 Catalog No: AG00GFGW MDL No:
Product Description
Catalog Number:
AG00GFGW
Chemical Name:
3-Isoxazolecarbonitrile,5-[(methylthio)methyl]-(9CI)
CAS Number:
84654-34-2
IUPAC Name:
5-(methylsulfanylmethyl)-1,2-oxazole-3-carbonitrile
InChI:
InChI=1S/C6H6N2OS/c1-10-4-6-2-5(3-7)8-9-6/h2H,4H2,1H3
InChI Key:
JHVFPXYZBOIZGI-UHFFFAOYSA-N
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.187g/mol
Monoisotopic Mass:
154.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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