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84332-06-9 | 4-Methoxy-2-(methylthio);-5-pyrimidinecarboxylic acid
CAS No: 84332-06-9 Catalog No: AG004XQX MDL No:MFCD02671593
Product Description
Catalog Number:
AG004XQX
Chemical Name:
4-Methoxy-2-(methylthio);-5-pyrimidinecarboxylic acid
CAS Number:
84332-06-9
Molecular Formula:
C7H8N2O3S
Molecular Weight:
200.2150
MDL Number:
MFCD02671593
IUPAC Name:
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O3S/c1-12-5-4(6(10)11)3-8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
InChI Key:
SXNHLOFNZOTILK-UHFFFAOYSA-N
SMILES:
COc1nc(SC)ncc1C(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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