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Home > Imidazoles > 82982-60-3
82982-60-3 | Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]-
CAS No: 82982-60-3 Catalog No: AG005DT4 MDL No:
Product Description
Catalog Number:
AG005DT4
Chemical Name:
Ethanone, 1-[2-(hydroxymethyl)-1H-imidazol-4-yl]-
CAS Number:
82982-60-3
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
1-[2-(hydroxymethyl)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C6H8N2O2/c1-4(10)5-2-7-6(3-9)8-5/h2,9H,3H2,1H3,(H,7,8)
InChI Key:
MGSUZKWFACFSDH-UHFFFAOYSA-N
SMILES:
OCc1[nH]cc(n1)C(=O)C
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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