Home Other Building Blocks 2-(4,6-dihydroxypyrimidin-5-yl)acetic acid

2-(4,6-dihydroxypyrimidin-5-yl)acetic acid

CAS No.:
853680-73-6
Catalog Number:
AG019PRW
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
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Product Description
Catalog Number:
AG019PRW
Chemical Name:
2-(4,6-dihydroxypyrimidin-5-yl)acetic acid
CAS Number:
853680-73-6
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD20621121
IUPAC Name:
2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C6H6N2O4/c9-4(10)1-3-5(11)7-2-8-6(3)12/h2H,1H2,(H,9,10)(H2,7,8,11,12)
InChI Key:
PFKVTVXWMUQRQN-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(O)ncnc1O
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties