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1243164-60-4 | 2-(oxan-3-yl)-1H-imidazole
CAS No: 1243164-60-4 Catalog No: AG01B5A5 MDL No:MFCD24619536
Product Description
Catalog Number:
AG01B5A5
Chemical Name:
2-(oxan-3-yl)-1H-imidazole
CAS Number:
1243164-60-4
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD24619536
IUPAC Name:
2-(oxan-3-yl)-1H-imidazole
InChI:
InChI=1S/C8H12N2O/c1-2-7(6-11-5-1)8-9-3-4-10-8/h3-4,7H,1-2,5-6H2,(H,9,10)
InChI Key:
ATWQXBCCYGIOPC-UHFFFAOYSA-N
SMILES:
C1CCC(CO1)c1ncc[nH]1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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