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Home > Imidazoles > 88973-86-8
88973-86-8 | 2,4-Hexadienoic acid, 1H-benzimidazol-2-ylmethyl ester, (E,E)-
CAS No: 88973-86-8 Catalog No: AG0045BE MDL No:
Product Description
Catalog Number:
AG0045BE
Chemical Name:
2,4-Hexadienoic acid, 1H-benzimidazol-2-ylmethyl ester, (E,E)-
CAS Number:
88973-86-8
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
1H-benzimidazol-2-ylmethyl hexa-2,4-dienoate
InChI:
InChI=1S/C14H14N2O2/c1-2-3-4-9-14(17)18-10-13-15-11-7-5-6-8-12(11)16-13/h2-9H,10H2,1H3,(H,15,16)
InChI Key:
NAHOWSDGKIIQCI-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(=O)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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