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Home > Imidazoles > 798571-58-1
798571-58-1 | Propanenitrile, 3-[2-(1H-imidazol-1-yl)ethoxy]-
CAS No: 798571-58-1 Catalog No: AG008L22 MDL No:
Product Description
Catalog Number:
AG008L22
Chemical Name:
Propanenitrile, 3-[2-(1H-imidazol-1-yl)ethoxy]-
CAS Number:
798571-58-1
Molecular Formula:
C8H11N3O
Molecular Weight:
165.1924
IUPAC Name:
3-(2-imidazol-1-ylethoxy)propanenitrile
InChI:
InChI=1S/C8H11N3O/c9-2-1-6-12-7-5-11-4-3-10-8-11/h3-4,8H,1,5-7H2
InChI Key:
BVQRKSJUNKAYTP-UHFFFAOYSA-N
SMILES:
N#CCCOCCn1cncc1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.196g/mol
Monoisotopic Mass:
165.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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