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53475-15-3 | 3-METHYLTHIO-2-BUTANONE
CAS No: 53475-15-3 Catalog No: AG003JS2 MDL No:MFCD00008761
Product Description
Catalog Number:
AG003JS2
Chemical Name:
3-METHYLTHIO-2-BUTANONE
CAS Number:
53475-15-3
MDL Number:
MFCD00008761
IUPAC Name:
3-methylsulfanylbutan-2-one
InChI:
InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3
InChI Key:
HFVLNCDRAMUMCC-UHFFFAOYSA-N
EC Number:
258-576-6
FEMA Number:
4181
Properties
Complexity:
70.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.045g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.194g/mol
Monoisotopic Mass:
118.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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