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1333222-16-4 | 2,4-Pyrimidinedimethanol, 6-methoxy-
CAS No: 1333222-16-4 Catalog No: AG0014LY MDL No:
Product Description
Catalog Number:
AG0014LY
Chemical Name:
2,4-Pyrimidinedimethanol, 6-methoxy-
CAS Number:
1333222-16-4
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
[2-(hydroxymethyl)-6-methoxypyrimidin-4-yl]methanol
InChI:
InChI=1S/C7H10N2O3/c1-12-7-2-5(3-10)8-6(4-11)9-7/h2,10-11H,3-4H2,1H3
InChI Key:
BDHPAXSEMROEHS-UHFFFAOYSA-N
SMILES:
COc1cc(CO)nc(n1)CO
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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