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1447317-08-9 | 1H-Imidazole-2-ethanol, β-methyl-
CAS No: 1447317-08-9 Catalog No: AG001K21 MDL No:
Product Description
Catalog Number:
AG001K21
Chemical Name:
1H-Imidazole-2-ethanol, β-methyl-
CAS Number:
1447317-08-9
Molecular Formula:
C6H10N2O
Molecular Weight:
126.1564
IUPAC Name:
2-(1H-imidazol-2-yl)propan-1-ol
InChI:
InChI=1S/C6H10N2O/c1-5(4-9)6-7-2-3-8-6/h2-3,5,9H,4H2,1H3,(H,7,8)
InChI Key:
PRQKWQBYKJQGJS-UHFFFAOYSA-N
SMILES:
OCC(c1ncc[nH]1)C
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
126.159g/mol
Monoisotopic Mass:
126.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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