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Pyrimidine-4-carboxylic acid

CAS No.:
31462-59-6
Catalog Number:
AG003U2Y
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$38
- +
25g
95%
In Stock USA
United States
$116
- +
100g
95%
In Stock USA
United States
$366
- +
500g
95%
In Stock USA
United States
$1658
- +
Product Description
Catalog Number:
AG003U2Y
Chemical Name:
Pyrimidine-4-carboxylic acid
CAS Number:
31462-59-6
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD00129737
IUPAC Name:
pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)
InChI Key:
YPOXGDJGKBXRFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccncn1
EC Number:
250-641-7
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.099g/mol
Monoisotopic Mass:
124.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110801
Properties