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370077-73-9 | Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
CAS No: 370077-73-9 Catalog No: AG01F9DH MDL No:
Product Description
Catalog Number:
AG01F9DH
Chemical Name:
Methyl [(4,6-Dihydroxypyrimidin-2-yl)thio]acetate
CAS Number:
370077-73-9
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
IUPAC Name:
methyl 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetate
InChI:
InChI=1S/C7H8N2O4S/c1-13-6(12)3-14-7-8-4(10)2-5(11)9-7/h2H,3H2,1H3,(H2,8,9,10,11)
InChI Key:
NHTKWLXNQXSJMG-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1nc(O)cc(n1)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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