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Home > Imidazoles > 89536-27-6
89536-27-6 | 1,1-Ethanediol, 2-[2-(2-phenyl-1,3-dioxolan-2-yl)-1H-benzimidazol-1-yl]-
CAS No: 89536-27-6 Catalog No: AG003Z0W MDL No:
Product Description
Catalog Number:
AG003Z0W
Chemical Name:
1,1-Ethanediol, 2-[2-(2-phenyl-1,3-dioxolan-2-yl)-1H-benzimidazol-1-yl]-
CAS Number:
89536-27-6
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
2-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]ethane-1,1-diol
InChI:
InChI=1S/C18H18N2O4/c21-16(22)12-20-15-9-5-4-8-14(15)19-17(20)18(23-10-11-24-18)13-6-2-1-3-7-13/h1-9,16,21-22H,10-12H2
InChI Key:
VPIUIEDOYQEUFK-UHFFFAOYSA-N
SMILES:
OC(Cn1c2ccccc2nc1C1(OCCO1)c1ccccc1)O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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