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128276-50-6

128276-50-6 | 2-Pyrimidinecarboxylic acid, 4,6-dimethoxy-

CAS No: 128276-50-6 Catalog No: AG000XXS MDL No:MFCD03645365

Product Description

Catalog Number:
AG000XXS
Chemical Name:
2-Pyrimidinecarboxylic acid, 4,6-dimethoxy-
CAS Number:
128276-50-6
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD03645365
IUPAC Name:
4,6-dimethoxypyrimidine-2-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-12-4-3-5(13-2)9-6(8-4)7(10)11/h3H,1-2H3,(H,10,11)
InChI Key:
PRXXMEMJCXTHTP-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)C(=O)O

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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