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2908-73-8 | 5-Pyrimidinemethanesulfonic acid, 4-amino-2-methyl-
CAS No: 2908-73-8 Catalog No: AG002X9H MDL No:
Product Description
Catalog Number:
AG002X9H
Chemical Name:
5-Pyrimidinemethanesulfonic acid, 4-amino-2-methyl-
CAS Number:
2908-73-8
Molecular Formula:
C6H9N3O3S
Molecular Weight:
203.2190
IUPAC Name:
(4-amino-2-methylpyrimidin-5-yl)methanesulfonic acid
InChI:
InChI=1S/C6H9N3O3S/c1-4-8-2-5(6(7)9-4)3-13(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H,10,11,12)
InChI Key:
BONBSNIMLNTEIY-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(n1)N)CS(=O)(=O)O
NSC Number:
165509
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.216g/mol
Monoisotopic Mass:
203.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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