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54855-79-7 |
CAS No: 54855-79-7 Catalog No: AG01FN45 MDL No:
Product Description
Catalog Number:
AG01FN45
CAS Number:
54855-79-7
IUPAC Name:
4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10)
InChI Key:
ZLKSFIQDRGDZCG-UHFFFAOYSA-N
NSC Number:
106579
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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