Home Carboxys 1-Methyl-1H-5-imidazolecarboxylic acid

1-Methyl-1H-5-imidazolecarboxylic acid

CAS No.:
41806-40-0
Catalog Number:
AG0032SP
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$50
- +
25g
~90%
In Stock USA
United States
$89
- +
100g
~90%
In Stock USA
United States
$228
- +
Product Description
Catalog Number:
AG0032SP
Chemical Name:
1-Methyl-1H-5-imidazolecarboxylic acid
CAS Number:
41806-40-0
Molecular Formula:
C5H6N2O2
Molecular Weight:
126.1133
MDL Number:
MFCD00955677
IUPAC Name:
3-methylimidazole-4-carboxylic acid
InChI:
InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key:
PBEDVTDUVXFSMW-UHFFFAOYSA-N
SMILES:
Cn1cncc1C(=O)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.115g/mol
Monoisotopic Mass:
126.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties