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112360-78-8 | 1H-Imidazole, 1-[1-[2-(2-propynyloxy)phenyl]ethenyl]-
CAS No: 112360-78-8 Catalog No: AG007TKG MDL No:
Product Description
Catalog Number:
AG007TKG
Chemical Name:
1H-Imidazole, 1-[1-[2-(2-propynyloxy)phenyl]ethenyl]-
CAS Number:
112360-78-8
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
1-[1-(2-prop-2-ynoxyphenyl)ethenyl]imidazole
InChI:
InChI=1S/C14H12N2O/c1-3-10-17-14-7-5-4-6-13(14)12(2)16-9-8-15-11-16/h1,4-9,11H,2,10H2
InChI Key:
VBBHYMCIDBVMSJ-UHFFFAOYSA-N
SMILES:
C#CCOc1ccccc1C(=C)n1cncc1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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