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Home > Imidazoles > 920009-41-2
920009-41-2 | Benzoic acid, 4-[(1E)-2-(1-methyl-1H-imidazol-5-yl)ethenyl]-
CAS No: 920009-41-2 Catalog No: AG006G66 MDL No:
Product Description
Catalog Number:
AG006G66
Chemical Name:
Benzoic acid, 4-[(1E)-2-(1-methyl-1H-imidazol-5-yl)ethenyl]-
CAS Number:
920009-41-2
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4-[2-(3-methylimidazol-4-yl)ethenyl]benzoic acid
InChI:
InChI=1S/C13H12N2O2/c1-15-9-14-8-12(15)7-4-10-2-5-11(6-3-10)13(16)17/h2-9H,1H3,(H,16,17)
InChI Key:
ZYBDUQYTWPPQKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)/C=C/c1cncn1C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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