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61861-34-5 | 5(4H)-Isoxazolone,3-methyl-4-[(methylthio)methylene]-,(Z)-(9CI)
CAS No: 61861-34-5 Catalog No: AG00EXLH MDL No:
Product Description
Catalog Number:
AG00EXLH
Chemical Name:
5(4H)-Isoxazolone,3-methyl-4-[(methylthio)methylene]-,(Z)-(9CI)
CAS Number:
61861-34-5
IUPAC Name:
3-methyl-4-(methylsulfanylmethylidene)-1,2-oxazol-5-one
InChI:
InChI=1S/C6H7NO2S/c1-4-5(3-10-2)6(8)9-7-4/h3H,1-2H3
InChI Key:
WLAILBVDEBCIRR-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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