Home Carboxys dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate

dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate

CAS No.:
321970-25-6
Catalog Number:
AG01DIJH
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
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Product Description
Catalog Number:
AG01DIJH
Chemical Name:
dimethyl 1-benzyl-1H-imidazole-4,5-dicarboxylate
CAS Number:
321970-25-6
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
MDL Number:
MFCD00428974
IUPAC Name:
dimethyl 1-benzylimidazole-4,5-dicarboxylate
InChI:
InChI=1S/C14H14N2O4/c1-19-13(17)11-12(14(18)20-2)16(9-15-11)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key:
AQLGPELKQBCWGJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n(cnc1C(=O)OC)Cc1ccccc1
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties