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Home Carboxys Pyrimidine-5-carboxylic acid

Pyrimidine-5-carboxylic acid

CAS No.:
4595-61-3
Catalog Number:
AG003MYJ
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$113
- +
25g
98%
In Stock USA
United States
$213
- +
100g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003MYJ
Chemical Name:
Pyrimidine-5-carboxylic acid
CAS Number:
4595-61-3
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD00008166
IUPAC Name:
pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)
InChI Key:
IIVUJUOJERNGQX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncnc1
EC Number:
224-994-2
Properties
Complexity:
110  
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:
-0.3  
Literature
Title Journal
Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives. Acta poloniae pharmaceutica 20120101
Topologies of metal-organic frameworks based on pyrimidine-5-carboxylate and unexpected gas-sorption selectivity for CO(2). Inorganic chemistry 20101206
Synthesis and characterisation of heterometallic molecular triangles using ambidentate linker: self-selection of a single linkage isomer. Dalton transactions (Cambridge, England : 2003) 20090507
Dual role of azide in the formation of a 3D coordination polymer containing bridging 5-pyrimidinecarboxylate. Dalton transactions (Cambridge, England : 2003) 20071028
Agonist lead identification for the high affinity niacin receptor GPR109a. Bioorganic & medicinal chemistry letters 20070901
Properties