Home Carboxys Methyl 5-(hydroxymethyl)-1h-imidazole-4-carboxylate

Methyl 5-(hydroxymethyl)-1h-imidazole-4-carboxylate

CAS No.:
82032-43-7
Catalog Number:
AG003RWQ
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
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Purity
Availability
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Price(USD)
Quantity
  
1g
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United States
$726
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Product Description
Catalog Number:
AG003RWQ
Chemical Name:
Methyl 5-(hydroxymethyl)-1h-imidazole-4-carboxylate
CAS Number:
82032-43-7
Molecular Formula:
C6H8N2O3
Molecular Weight:
156.1393
MDL Number:
MFCD00191520
IUPAC Name:
methyl 5-(hydroxymethyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H8N2O3/c1-11-6(10)5-4(2-9)7-3-8-5/h3,9H,2H2,1H3,(H,7,8)
InChI Key:
RRNBWPNDHRAYBV-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc[nH]c1CO
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
156.141g/mol
Monoisotopic Mass:
156.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. Biochemical pharmacology 19951109
Properties