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Home > Imidazoles > 89257-46-5
89257-46-5 | 2-Butenoic acid, 4-(1H-benzimidazol-2-yl)-4-oxo-, methyl ester
CAS No: 89257-46-5 Catalog No: AG0041RK MDL No:
Product Description
Catalog Number:
AG0041RK
Chemical Name:
2-Butenoic acid, 4-(1H-benzimidazol-2-yl)-4-oxo-, methyl ester
CAS Number:
89257-46-5
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
methyl 4-(1H-benzimidazol-2-yl)-4-oxobut-2-enoate
InChI:
InChI=1S/C12H10N2O3/c1-17-11(16)7-6-10(15)12-13-8-4-2-3-5-9(8)14-12/h2-7H,1H3,(H,13,14)
InChI Key:
GFYBXONNMAMALO-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC(=O)c1nc2c([nH]1)cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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