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Home > Imidazoles > 798571-56-9
798571-56-9 | Acetonitrile, [2-(1H-imidazol-1-yl)ethoxy]-
CAS No: 798571-56-9 Catalog No: AG004ZF4 MDL No:
Product Description
Catalog Number:
AG004ZF4
Chemical Name:
Acetonitrile, [2-(1H-imidazol-1-yl)ethoxy]-
CAS Number:
798571-56-9
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
IUPAC Name:
2-(2-imidazol-1-ylethoxy)acetonitrile
InChI:
InChI=1S/C7H9N3O/c8-1-5-11-6-4-10-3-2-9-7-10/h2-3,7H,4-6H2
InChI Key:
CJTFFPSZMQOVSW-UHFFFAOYSA-N
SMILES:
N#CCOCCn1cncc1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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