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2-methyl-1H-imidazole-4-carboxylic acid hydrate

CAS No.:
1087768-73-7
Catalog Number:
AG00J1KU
Molecular Formula:
C5H8N2O3
Molecular Weight:
144.1286
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG00J1KU
Chemical Name:
2-methyl-1H-imidazole-4-carboxylic acid hydrate
CAS Number:
1087768-73-7
Molecular Formula:
C5H8N2O3
Molecular Weight:
144.1286
MDL Number:
MFCD13193967
IUPAC Name:
2-methyl-1H-imidazole-5-carboxylic acid;hydrate
InChI:
InChI=1S/C5H6N2O2.H2O/c1-3-6-2-4(7-3)5(8)9;/h2H,1H3,(H,6,7)(H,8,9);1H2
InChI Key:
ZCMNRFBWTDHMAQ-UHFFFAOYSA-N
SMILES:
Cc1nc(c[nH]1)C(=O)O.O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
144.13g/mol
Monoisotopic Mass:
144.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties