Home Carboxys butyl 5-formyl-1H-imidazole-4-carboxylate

butyl 5-formyl-1H-imidazole-4-carboxylate

CAS No.:
75040-54-9
Catalog Number:
AG01BS64
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG01BS64
Chemical Name:
butyl 5-formyl-1H-imidazole-4-carboxylate
CAS Number:
75040-54-9
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD26403706
IUPAC Name:
butyl 5-formyl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-2-3-4-14-9(13)8-7(5-12)10-6-11-8/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
INPDRFQWCFSDSM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1nc[nH]c1C=O
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties