Home Carboxys 2,6-Dihydroxy-5-methoxypyrimidine-4-carboxylic acid

2,6-Dihydroxy-5-methoxypyrimidine-4-carboxylic acid

CAS No.:
6944-35-0
Catalog Number:
AG005ZBI
Molecular Formula:
C6H6N2O5
Molecular Weight:
186.1222
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Product Description
Catalog Number:
AG005ZBI
Chemical Name:
2,6-Dihydroxy-5-methoxypyrimidine-4-carboxylic acid
CAS Number:
6944-35-0
Molecular Formula:
C6H6N2O5
Molecular Weight:
186.1222
MDL Number:
MFCD27996793
IUPAC Name:
5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C6H6N2O5/c1-13-3-2(5(10)11)7-6(12)8-4(3)9/h1H3,(H,10,11)(H2,7,8,9,12)
InChI Key:
YZQJJKJYNSVDTC-UHFFFAOYSA-N
SMILES:
COc1c(O)nc(nc1C(=O)O)O
NSC Number:
55980
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.028g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
186.123g/mol
Monoisotopic Mass:
186.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties