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89660-62-8 | 3(2H)-Isoxazolone, 5-[(methylthio)methyl]-
CAS No: 89660-62-8 Catalog No: AG0088N1 MDL No:
Product Description
Catalog Number:
AG0088N1
Chemical Name:
3(2H)-Isoxazolone, 5-[(methylthio)methyl]-
CAS Number:
89660-62-8
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
IUPAC Name:
5-(methylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C5H7NO2S/c1-9-3-4-2-5(7)6-8-4/h2H,3H2,1H3,(H,6,7)
InChI Key:
VWMXCDZIQNBDDZ-UHFFFAOYSA-N
SMILES:
CSCc1cc(=O)[nH]o1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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